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1.
  • Bozkurt, M., et al. (author)
  • Magnetic anisotropy of single Mn acceptors in GaAs in an external magnetic field
  • 2013
  • In: Physical Review B. Condensed Matter and Materials Physics. - : American Physical society. - 1098-0121 .- 1550-235X. ; 88, s. Article ID: 205203-
  • Journal article (peer-reviewed)abstract
    • We investigate the effect of an external magnetic field on the physical properties of the acceptor hole statesassociated with single Mn acceptors placed near the (110) surface of GaAs. Cross-sectional scanning tunnelingmicroscopy images of the acceptor local density of states (LDOS) show that the strongly anisotropic hole wavefunction is not significantly affected by a magnetic field up to 6 T. These experimental results are supported bytheoretical calculations based on a tight-binding model of Mn acceptors in GaAs. For Mn acceptors on the (110)surface and the subsurfaces immediately underneath, we find that an applied magnetic field modifies significantlythe magnetic anisotropy landscape. However, the acceptor hole wave function is strongly localized around theMn and the LDOS is quite independent of the direction of the Mn magnetic moment. On the other hand, for Mnacceptors placed on deeper layers below the surface, the acceptor hole wave function is more delocalized andthe corresponding LDOS is much more sensitive on the direction of the Mn magnetic moment. However, themagnetic anisotropy energy for these magnetic impurities is large (up to 15 meV), and a magnetic field of 10 Tcan hardly change the landscape and rotate the direction of the Mn magnetic moment away from its easy axis.We predict that substantially larger magnetic fields are required to observe a significant field dependence of thetunneling current for impurities located several layers below the GaAs surface.
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2.
  • Borschel, Christian, et al. (author)
  • A New Route toward Semiconductor Nanospintronics : Highly Mn-Doped GaAs Nanowires Realized by Ion-Implantation under Dynamic Annealing Conditions
  • 2011
  • In: Nano letters (Print). - Washington : American Chemical Society (ACS). - 1530-6984 .- 1530-6992. ; 11:9, s. 3935-3940
  • Journal article (peer-reviewed)abstract
    • We report on highly Mn-doped GaAs nanowires (NWs) of high crystalline quality fabricated by ion beam implantation, a technique that allows doping concentrations beyond the equilibrium solubility limit. We studied two approaches for the preparation of Mn-doped GaAs NWs: First, ion implantation at room temperature with subsequent annealing resulted in polycrystalline NWs and phase segregation of MnAs and GaAs. The second approach was ion implantation at elevated temperatures. In this case, the single-crystallinity of the GaAs NWs was maintained, and crystalline, highly Mn-doped GaAs NWs were obtained. The electrical resistance of such NWs dropped with increasing temperature (activation energy about 70 meV). Corresponding magnetoresistance measurements showed a decrease at low temperatures, indicating paramagnetism. Our findings suggest possibilities for future applications where dense arrays of GaMnAs nanowires may be used as a new kind of magnetic material system.
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3.
  • Islam, Fhokrul, et al. (author)
  • Systematics of electronic and magnetic properties in the transition metal doped Sb2Te3 quantum anomalous Hall platform
  • 2018
  • In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 97:15
  • Journal article (peer-reviewed)abstract
    • The quantum anomalous Hall effect (QAHE) has recently been reported to emerge in magnetically doped topological insulators. Although its general phenomenology is well established, the microscopic origin is far from being properly understood and controlled. Here, we report on a detailed and systematic investigation of transition metal (TM) doped Sb2Te3. By combining density functional theory calculations with complementary experimental techniques, i.e., scanning tunneling microscopy, resonant photoemission, and x-raymagnetic circular dichroism, we provide a complete spectroscopic characterization of both electronic and magnetic properties. Our results reveal that the TM dopants not only affect the magnetic state of the host material, but also significantly alter the electronic structure by generating impurity-derived energy bands. Our findings demonstrate the existence of a delicate interplay between electronic and magnetic properties in TM doped topological insulators. In particular, we find that the fate of the topological surface states critically depends on the specific character of the TM impurity: while V-and Fe-doped Sb2Te3 display resonant impurity states in the vicinity of the Dirac point, Cr and Mn impurities leave the energy gap unaffected. The single-ion magnetic anisotropy energy and easy axis, which control the magnetic gap opening and its stability, are also found to be strongly TM impurity dependent and can vary from in plane to out of plane depending on the impurity and its distance from the surface. Overall, our results provide general guidelines for the realization of a robust QAHE in TM doped Sb2Te3 in the ferromagnetic state.
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4.
  • Liu, R. S., et al. (author)
  • CoFe alloy as middle layer for strong spin dependent quantum well resonant tunneling in MgO double barrier magnetic tunnel junctions
  • 2013
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 87:2, s. 024411-
  • Journal article (peer-reviewed)abstract
    • We report on spin dependent quantum well (QW) resonances in the CoFe alloy middle layer of CoFe/MgO/CoFe/MgO/CoFeB double barrier magnetic tunnel junctions. The dI/dV spectra reveal clear resonant peaks for the parallel magnetization configurations, which can be related to the existence of QW resonances obtained from first-principles calculations. We observe that the differential tunneling magnetoresistance (TMR) exhibits an oscillatory behavior as a function of voltage with a sign change as well as a pronounced TMR enhancement at resonant voltages at room temperature. The observation of strong QW resonances indicates that the CoFe film possesses a long majority spin mean-free path, and the substitutional disorder does not cause a significant increase of scattering. Both points are confirmed by first-principles electronic structure calculation. DOI: 10.1103/PhysRevB.87.024411
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6.
  • Nossa, Javier, et al. (author)
  • Electric control of a {Fe4} single-molecule magnet in a single-electron transistor
  • 2013
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 88:22, s. Article ID: 224423-
  • Journal article (peer-reviewed)abstract
    • Using first-principles methods, we study theoretically the properties of an individual {Fe-4} single-molecule magnet (SMM) attached to metallic leads in a single-electron transistor geometry. We show that the conductive leads do not affect the spin ordering and magnetic anisotropy of the neutral SMM. On the other hand, the leads have a strong effect on the anisotropy of the charged states of the molecule, which are probed in Coulomb blockade transport. Furthermore, we demonstrate that an external electric potential, modeling a gate electrode, can be used to manipulate the magnetic properties of the system. For a charged molecule, by localizing the extra charge with the gate voltage closer to the magnetic core, the anisotropy magnitude and spin ordering converges to the values found for the isolated {Fe-4} SMM. We compare these findings with the results of recent quantum transport experiments in three-terminal devices.
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7.
  • Nossa, Javier, 1979-, et al. (author)
  • Electric control of spin states in frustrated triangular molecular magnets
  • 2023
  • In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 107:24
  • Journal article (peer-reviewed)abstract
    • Frustrated triangular molecular magnets are a very important class of magnetic molecules since the absence of inversion symmetry allows an external electric field to couple directly with the spin chirality that characterizes their ground state. The spin-electric coupling in these molecular magnets leads to an efficient and fast method of manipulating spin states, making them an exciting candidate for quantum information processing. The efficiency of the spin-electric coupling depends on the spin-induced electric-dipole moment of the frustrated spin configurations contributing to the chiral ground state. In this paper, we report on first-principles calculations of spin-electric coupling in a {V3} triangular magnetic molecule. We have explicitly calculated the spin-induced charge redistribution within the magnetic centers that is responsible for the spin-electric coupling. Furthermore, we have generalized the method of calculating the strength of the spin-electric coupling to calculate any triangular spin-1/2 molecule with C3 symmetry and have applied it to calculate the coupling strength in {V15} molecular magnets.
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8.
  • Sadowski, Janusz, et al. (author)
  • Wurtzite (Ga,Mn)As nanowire shells with ferromagnetic properties
  • 2017
  • In: Nanoscale. - : Royal Society of Chemistry. - 2040-3364 .- 2040-3372. ; 9:6, s. 2129-2137
  • Journal article (peer-reviewed)abstract
    • (Ga,Mn)As having a wurtzite crystal structure was coherently grown by molecular beam epitaxy on the 1100 side facets of wurtzite (Ga,In)As nanowires and further encapsulated by (Ga,Al)As and low temperature GaAs. For the first time, a truly long-range ferromagnetic magnetic order is observed in non-planar (Ga,Mn)As, which is attributed to a more effective hole confinement in the shell containing Mn by the proper selection/choice of both the core and outer shell materials. © The Royal Society of Chemistry.
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9.
  • Wu, Phillip M., et al. (author)
  • Thermoelectric Characterization of Electronic Properties of GaMnAs Nanowires
  • 2012
  • In: Journal of Nanotechnology. - New York : Hindawi Publishing Corporation. - 1687-9503 .- 1687-9511. ; 2012
  • Journal article (peer-reviewed)abstract
    • Nanowires with magnetic doping centers are an exciting candidate for the study of spin physics and proof-of-principle spintronics devices. The required heavy doping can be expected to have a significant impact on the nanowires' electron transport properties. Here, we use thermopower and conductance measurements for transport characterization of Ga 0.95Mn 0.05As nanowires over a broad temperature range. We determine the carrier type (holes) and concentration and find a sharp increase of the thermopower below temperatures of 120 K that can be qualitatively described by a hopping conduction model. However, the unusually large thermopower suggests that additional mechanisms must be considered as well. © 2012 Phillip M. Wu et al.
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10.
  • Aikebaier, Faluke, et al. (author)
  • Effects of short-range electron-electron interactions in doped graphene
  • 2015
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 92:15
  • Journal article (peer-reviewed)abstract
    • We study theoretically the effects of short-range electron-electron interactions on the electronic structure of graphene, in the presence of substitutional impurities. Our computational approach is based on the π orbital tight-binding model for graphene, with the electron-electron interactions treated self-consistently at the level of the mean-field Hubbard model. The finite impurity concentration is modeled using the supercell approach. We compare explicitly noninteracting and interacting cases with varying interaction strength and impurity potential strength. We focus in particular on the interaction-induced modifications in the local density of states around the impurity, which is a quantity that can be directly probed by scanning tunneling spectroscopy of doped graphene. We find that the resonant character of the impurity states near the Fermi level is enhanced by the interactions. Furthermore, the size of the energy gap, which opens up at high-symmetry points of the Brillouin zone of the supercell upon doping, is significantly affected by the interactions. The details of this effect depend subtly on the supercell geometry. We use a perturbative model to explain these features and find quantitative agreement with numerical results.
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11.
  • Azimi Mousolou, Vahid, et al. (author)
  • Non-Abelian off-diagonal geometric phases in nano-engineered four-qubit systems
  • 2013
  • In: Europhysics letters. - : IOP Publishing. - 0295-5075 .- 1286-4854. ; 103:6, s. 60011-
  • Journal article (peer-reviewed)abstract
    • The concept of off-diagonal geometric phase (GP) has been introduced in order to recover interference information about the geometry of quantal evolution where the standard GPs are not well-defined. In this Letter, we propose a physical setting for realizing non-Abelian off- diagonal GPs. The proposed non-Abelian off-diagonal GPs can be implemented in a cyclic chain of four qubits with controllable nearest-neighbor interactions. Our proposal seems to be within reach in various nano-engineered systems and therefore opens up for first experimental test of the non-Abelian off-diagonal GP. 
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12.
  • Azimi Mousolou, Vahid, et al. (author)
  • Non-Abelian quantum holonomy of hydrogen-like atoms
  • 2011
  • In: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 84:3
  • Journal article (peer-reviewed)abstract
    • We study the Uhlmann holonomy [Rep. Math. Phys. 24, 229 (1986)] of quantum states for hydrogen-like atoms, where the intrinsic spin and orbital angular momentum are coupled by the spin-orbit interaction and subject to a slowly varying magnetic field. We show that the holonomy for the orbital angular momentum and spin subsystems is non-Abelian, while the holonomy of the whole system is Abelian. Quantum entanglement in the states of the whole system is crucially related to the non-Abelian gauge structure of the subsystems. We analyze the phase of the Wilson loop variable associated with the Uhlmann holonomy, and find a relation between the phase of the whole system with corresponding marginal phases. Based on the result for the model system we provide evidence that the phase of the Wilson loop variable and the mixed-state geometric phase [Phys. Rev. Lett. 85, 2845 (2000)] are in general inequivalent.
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13.
  • Azimi Mousolou, Vahid, et al. (author)
  • Spin-electric Berry phase shift in triangular molecular magnets
  • 2016
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 94:23
  • Journal article (peer-reviewed)abstract
    • We propose a Berry phase effect on the chiral degrees of freedom of a triangular magnetic molecule. The phase is induced by adiabatically varying an external electric field in the plane of the molecule via a spin-electric coupling mechanism present in these frustrated magnetic molecules. The Berry phase effect depends on spin-orbit interaction splitting and on the electric dipole moment. By varying the amplitude of the applied electric field, the Berry phase difference between the two spin states can take any arbitrary value between zero and π, which can be measured as a phase shift between the two chiral states by using spin-echo techniques. Our result can be used to realize an electric-field-induced geometric phase-shift gate acting on a chiral qubit encoded in the ground-state manifold of the triangular magnetic molecule.
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14.
  • Azimi Mousolou, Vahid, et al. (author)
  • Unifying Geometric Entanglement and Geometric Phase in a Quantum Phase Transition
  • 2013
  • In: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 88:1, s. 012310-
  • Journal article (peer-reviewed)abstract
    • Geometric measure of entanglement and geometric phase have recently been used to analyze quantum phase transition in the XY spin chain. We unify these two approaches by showing that the geometric entanglement and the geometric phase are respectively the real and imaginary parts of a complex-valued geometric entanglement, which can be investigated in typical quantum interferometry experiments. We argue that the singular behavior of the complex-value geometric entanglement at a quantum critical point is a characteristic of any quantum phase transition, by showing that the underlying mechanism is the occurrence of level crossings associated with the underlying Hamiltonian.
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15.
  • Azimi Mousolou, Vahid, et al. (author)
  • Universal Non-adiabatic Holonomic Gates in Quantum Dots and Single-Molecule Magnets
  • Other publication (other academic/artistic)abstract
    • Geometric manipulation of a quantum system offers a method for fast, universal, and robust quantum information processing. Here, we propose a scheme for universal all-geometric quantum computation using non-adiabatic quantum holonomies. We propose three different realizations of the scheme based on an unconventional use of quantum dot and single-molecule magnet devices,which offer promising scalability and robust efficiency.
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16.
  • Azimi Mousolou, Vahid, et al. (author)
  • Universal Non-adiabatic Holonomic Gates in Quantum Dots and Single-Molecule Magnets
  • 2014
  • In: New Journal of Physics. - : IOP Publishing. - 1367-2630. ; 16
  • Journal article (peer-reviewed)abstract
    • Geometric manipulation of a quantum system offers a method for fast, universal, and robust quantum information processing. Here, we propose a scheme for universal all-geometric quantum computation using non-adiabatic quantum holonomies. We propose three different realizations of the scheme based on an unconventional use of quantum dot and single-molecule magnet devices, which offer promising scalability and robust efficiency. 
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28.
  • Gooth, Johannes, et al. (author)
  • Local Magnetic Suppression of Topological Surface States in Bi2Te3 Nanowires
  • 2016
  • In: ACS Nano. - Washington : American Chemical Society (ACS). - 1936-0851 .- 1936-086X. ; 10:7, s. 7180-7188
  • Journal article (peer-reviewed)abstract
    • Locally induced, magnetic order on the surface of a topological insulator nanowire could enable room-temperature topological quantum devices. Here we report on the realization of selective magnetic control over topological surface states on a single facet of a rectangular Bi2Te3 nanowire via a magnetic insulating Fe3O4 substrate. Low-temperature magnetotransport studies provide evidence for local time-reversal symmetry breaking and for enhanced gapping of the interfacial 1D energy spectrum by perpendicular magnetic-field components, leaving the remaining nanowire facets unaffected. Our results open up great opportunities for development of dissipation-less electronics and spintronics.
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29.
  • Han, Sang Sub, et al. (author)
  • Reversible Transition of Semiconducting PtSe2 and Metallic PtTe2 for Scalable All-2D Edge-Contacted FETs
  • 2024
  • In: Nano Letters. - : American Chemical Society (ACS). - 1530-6984 .- 1530-6992. ; 24:6, s. 1891-1900
  • Journal article (peer-reviewed)abstract
    • Two-dimensional (2D) transition metal dichalcogenide (TMD) layers are highly promising as field-effect transistor (FET) channels in the atomic-scale limit. However, accomplishing this superiority in scaled-up FETs remains challenging due to their van der Waals (vdW) bonding nature with respect to conventional metal electrodes. Herein, we report a scalable approach to fabricate centimeter-scale all-2D FET arrays of platinum diselenide (PtSe2) with in-plane platinum ditelluride (PtTe2) edge contacts, mitigating the aforementioned challenges. We realized a reversible transition between semiconducting PtSe2 and metallic PtTe2 via a low-temperature anion exchange reaction compatible with the back-end-of-line (BEOL) processes. All-2D PtSe2 FETs seamlessly edge-contacted with transited metallic PtTe2 exhibited significant performance improvements compared to those with surface-contacted gold electrodes, e.g., an increase of carrier mobility and on/off ratio by over an order of magnitude, achieving a maximum hole mobility of similar to 50.30 cm(2) V-1 s(-1) at room temperature. This study opens up new opportunities toward atomically thin 2D-TMD-based circuitries with extraordinary functionalities.
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30.
  • Hussain, Ghulam, et al. (author)
  • Pentagonal nanowires from topological crystalline insulators : a platform for intrinsic core-shell nanowires and higher-order topology
  • 2024
  • In: Nanoscale Horizons. - : Royal Society of Chemistry. - 2055-6764 .- 2055-6756.
  • Journal article (peer-reviewed)abstract
    • We report on the experimental realization of Pb1-xSnx Te pentagonal nanowires (NWs) with [110] orientation using molecular beam epitaxy techniques. Using first-principles calculations, we investigate the structural stability of NWs of SnTe and PbTe in three different structural phases: cubic, pentagonal with [001] orientation and pentagonal with [110] orientation. Within a semiclassical approach, we show that the interplay between ionic and covalent bonds favors the formation of pentagonal NWs. Additionally, we find that this pentagonal structure is more likely to occur in tellurides than in selenides. The disclination and twin boundary cause the electronic states originating from the NW core region to generate a conducting band connecting the valence and conduction bands, creating a symmetry-enforced metallic phase. The metallic core band has opposite slopes in the cases of Sn and Te twin boundaries, while the bands from the shell are insulating. We finally study the electronic and topological properties of pentagonal NWs unveiling their potential as a new platform for higher-order topology and fractional charge. These pentagonal NWs represent a unique case of intrinsic core-shell one-dimensional nanostructures with distinct structural, electronic and topological properties between the core and the shell region. (a) Scanning transmission electron microscopy image of a pentagonal nanowire; the inset shows the disclination and core chain (CC). The red bands from the core connect the valence and conduction bands for (b) cation and (c) anion twin-boundaries.
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31.
  • Islam, Fhokrul, et al. (author)
  • Ab initio calculations of the magnetic properties of Mn impurities on GaAs (110) surfaces
  • 2012
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; B 85, s. Article ID: 155306-
  • Journal article (peer-reviewed)abstract
    • We present a computational study of individual and pairs of substitutional Mn impurities on the (110) surface of GaAs samples based on density functional theory. We focus on the anisotropy properties of these magnetic centers and their dependence on on-site correlations, spin-orbit interaction, and surface-induced symmetry-breaking effects. For a Mn impurity on the surface, the associated acceptor-hole wave function tends to be more localized around the Mn than for an impurity in bulk GaAs. The magnetic anisotropy energy for isolated Mn impurities is of the order of 1 meV, and can be related to the anisotropy of the orbital magnetic moment of the Mn acceptor hole. Typically Mn pairs have their spin magnetic moments parallel aligned, with an exchange energy that strongly depends on the pair orientation on the surface. The spin magnetic moment and exchange energies for these magnetic entities are not significantly modified by the spin-orbit interaction, but are more sensitive to on-site correlations. Correlations in general reduce the magnetic anisotropy for most of the ferromagnetic Mn pairs.
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32.
  • Islam, Fhokrul, et al. (author)
  • First-principles study of spin-electric coupling in a {Cu3} single molecular magnet
  • 2010
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 82:15
  • Journal article (peer-reviewed)abstract
    • We report on a study of the electronic and magnetic properties of the triangular antiferromagnetic {Cu3} single-molecule magnet, based on spin-density-functional theory. Our calculations show that the low-energy magnetic properties are correctly described by an effective three-site spin s = 1/2 Heisenberg model, with an antiferromagnetic exchange coupling J approximate to 5 meV. The ground-state manifold of the model is composed of two degenerate spin S = 1/2 doublets of opposite chirality. Due to lack of inversion symmetry in the molecule these two states are coupled by an external electric field, even when spin-orbit interaction is absent. The spin-electric coupling can be viewed as originating from a modified exchange constant delta J induced by the electric field. We find that the calculated transition rate between the chiral states yields an effective electric dipole moment d = 3.38 x 10(-33) C m approximate to e10(-4)a, where a is the Cu separation. For external electric fields epsilon approximate to 10(8) V/m this value corresponds to a Rabi time tau approximate to 1 ns and to a delta J on the order of a few mu eV.
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33.
  • Islam, Fhokrul, et al. (author)
  • Impurity potential induced gap at the Dirac point of topological insulators with in-plane magnetization
  • 2019
  • In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 99:15, s. 1-6
  • Journal article (peer-reviewed)abstract
    • The quantum anomalous Hall effect (QAHE), characterized by dissipationless quantized edge transport, relies crucially on a nontrivial topology of the electronic bulk band structure and a robust ferromagnetic order that breaks time-reversal symmetry. Magnetically doped topological insulators (TIs) satisfy both these criteria, and are the most promising quantum materials for realizing the QAHE. Because the spin of the surface electrons aligns along the direction of the magnetic-impurity exchange field, only magnetic TIs with an out-of-plane magnetization are thought to open a gap at the Dirac point (DP) of the surface states, resulting in the QAHE. Using a continuum model supported by atomistic tight-binding and first-principles calculations of transition-metal doped Bi2Se3, we show that a surface-impurity potential generates an additional effective magnetic field which spin polarizes the surface electrons along the direction perpendicular to the surface. The predicted gap-opening mechanism results from the interplay of this additional field and the in-plane magnetization that shifts the position of the DP away from the Γ point. This effect is similar to the one originating from the hexagonal warping correction of the band structure but is one order of magnitude stronger. Our calculations show that in a doped TI with in-plane magnetization the impurity-potential-induced gap at the DP is comparable to the one opened by an out-of-plane magnetization.
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34.
  • Islam, Rajibul, et al. (author)
  • Engineering axion insulator and other topological phases in superlattices without inversion symmetry
  • 2023
  • In: Physical Review B. - : American Physical Society. - 2469-9950 .- 2469-9969. ; 107:12
  • Journal article (peer-reviewed)abstract
    • We study theoretically the interplay between magnetism and topology in three-dimensional HgTe/MnTe superlattices stacked along the (001) axis. Our results show the evolution of the magnetic topological phases with respect to the magnetic configurations. An axion insulator phase is observed for the antiferromagnetic order with the out-of-plane Néel vector direction below a critical thickness of MnTe, which is the ground state among all magnetic configurations. Defining T as the time-reversal symmetry, this axion insulator phase is protected by a magnetic twofold rotational symmetry C2⋅T. We find that the axion insulator phase evolves into a trivial insulator as we increase the number of the magnetic MnTe layers, and we present an estimate of the critical thickness of the MnTe film above which the axion insulator phase is absent. By switching the Néel vector direction into the ab plane, the system realizes different antiferromagnetic topological insulators depending on the thickness of MnTe. These phases feature gapless surface Dirac cones shifted away from high-symmetry points on surfaces perpendicular to the Néel vector direction of the magnetic layers. In the presence of ferromagnetism, the system realizes a magnetic Weyl semimetal and a ferromagnetic semimetal for out-of-plane and in-plane magnetization directions, respectively. We observe large anomalous Hall conductivity in the presence of ferromagnetism in the three-dimensional superlattice.
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35.
  • Johnson, Alexander I., et al. (author)
  • A multiferroic molecular magnetic qubit
  • 2019
  • In: Journal of Chemical Physics. - : American Institute of Physics (AIP). - 0021-9606 .- 1089-7690. ; 151:17, s. 1-7
  • Journal article (peer-reviewed)abstract
    • The chiral Fe3O(NC5H5)3(O2CC6H5)6 molecular cation, with C-3 symmetry, is composed of three six-fold coordinated spin-carrying Fe3+ cations that form a perfect equilateral triangle. Experimental reports demonstrating the spin-electric effect in this system also identify the presence of a magnetic uniaxis and suggest that this molecule may be a good candidate for an externally controllable molecular qubit. Here, we demonstrate, using standard density-functional methods, that the spin-electric behavior of this molecule could be even more interesting as there are energetically competitive reference states associated with both high and low local spins (S = 5/2 vs S = 1/2) on the Fe3+ ions. Each of these structures allow for spin-electric ground states. We find that qualitative differences in the broadening of the Fe(2s) and O(1s) core levels, shifts in the core-level energies, and the magnetic signatures of the single-spin anisotropy Hamiltonian may be used to confirm whether a transition between a high-spin manifold and a low spin manifold occurs.
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36.
  • Kumar, Sandeep, et al. (author)
  • Magnetic polarons and large negative magnetoresistance in GaAs nanowires implanted with Mn ions
  • 2013
  • In: Nano letters (Print). - Washington, United States : American Chemical Society (ACS). - 1530-6984 .- 1530-6992. ; 13:11, s. 5079-5084
  • Journal article (peer-reviewed)abstract
    • We report on low-temperature magnetotransport and SQUID measurements on heavily doped Mn-implanted GaAs nanowires. SQUID data recorded at low magnetic fields exhibit clear signs of the onset of a spin-glass phase with a transition temperature of about 16 K. Magnetotransport experiments reveal a corresponding peak in resistance at 16 K and a remarkably large negative magnetoresistance, reaching 40 % at 1.6 K and 8 T. The negative magnetoresistance decreases at elevated temperatures and vanishes at about 100 K. We interpret our transport data in terms of spin-dependent hopping in a complex magnetic nanowire landscape of magnetic polarons forming a paramagnetic/spin-glass phase.
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37.
  • Lin, Ci, et al. (author)
  • Direct Band Gap in Multilayer Transition Metal Dichalcogenide Nanoscrolls with Enhanced Photoluminescence
  • 2022
  • In: ACS Materials Letters. - : American Chemical Society (ACS). - 2639-4979. ; 4:8, s. 1547-1555
  • Journal article (peer-reviewed)abstract
    • A direct band gap that solely exists in monolayer semiconducting transition metal dichalcogenides (TMDs) endows strong photoluminescence (PL) features, whereas multilayer TMD structures exhibit quenched PL due to the direct-to-indirect band gap transition. We demonstrate multi-layer TMD (such as MoS2 and WS2) nanoscrolls with a preserved direct band gap fabricated by an effective and facile method of solvent-driven self-assembly. The resultant multi-layer nanoscrolls, exhibiting up to 11 times higher PL intensity than the remanent monolayer, are carefully characterized using PL spectroscopy. Significantly enlarged interlayer distances and modulated interlayer coupling in the fabricated nanostructures are unveiled by cross-sectional scanning transmission electron microscopy, atomic force microscopy, and Raman spectroscopy. The preservation of direct band gap features is further evidenced by density functional theory calculations using the simplified bilayer model with an experimentally obtained 15 & ANGS; interlayer distance. The modulation of the PL intensity as an indicator of the band gap crossover in the TMD nanoscrolls is demonstrated by removing the acetone molecules trapped inside the interlayer space. The general applicability of the method presents an opportunity for large-scale fabrication of a plethora of multilayer TMD nanoscrolls with direct band gaps.
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38.
  • Lin, Ci, et al. (author)
  • Improving photocatalytic hydrogen generation of g-C3N4 via efficient charge separation imposed by Bi2O2Se nanosheets
  • 2024
  • In: Carbon. - : Elsevier. - 0008-6223 .- 1873-3891. ; 218
  • Journal article (peer-reviewed)abstract
    • Enabling highly efficient photocatalytic hydrogen production from solar-driven water splitting is of immense potential and environmental significance. However, the crucial issue of the low utilization efficiency of photogenerated charges in most photocatalysts, such as polymeric graphitic carbon nitride, g-C3N4 (CN), hampers the overall photocatalytic activity and hinders practical applications. To surmount this parasitic phenomenon, we develop a heterojunction-based strategy that improves the charge separation efficiency in CN. The heterostructure is constructed between thermally exfoliated CN and liquid phase exfoliated Bi2O2Se (BOS) via a solution-phase, electrostatically driven self-assembly process. The properly aligned band positions between the two components create a built-in electric field, which endows the composite with an enhanced charge separation efficiency. The optimized Pt-deposited heterostructure photocatalyst exhibits a hydrogen production rate of 6481 μmol h−1 g−1, and an apparent quantum efficiency of 11.65% at 420 nm, compared to those of Pt-deposited ECN (4595 μmol h−1 g−1, 6.64 %). We validate the efficient charge separation effect and the prolonged lifetime of photogenerated carriers in the heterostructure using a series of comprehensive characterizations across multiple timescales, thus, elucidating the origin of the observed photocatalytic activity. This demonstration offers valuable insights into improving the utilization efficiency of photogenerated charges for photocatalysis by heterostructure engineering with materials of distinct electronic configurations.
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39.
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41.
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42.
  • Liu, Ruisheng S., et al. (author)
  • Magnetoresistance studies on CoAl OX Au and CoAl OX NiAu tunnel structures
  • 2008
  • In: Applied Physics Letters. - New York : American Institute of Physics (AIP). - 0003-6951 .- 1077-3118. ; 93:20, s. 203107-203107-3
  • Journal article (peer-reviewed)abstract
    • We report on magnetoresistance (MR) studies on CoAl OX Au and CoAl OX NiAu magnetic tunnel junctions. In spite of the fact that the difference between the two samples is merely a 3 nm thick Ni layer, there is a sharp contrast in MR behavior indicating that the electronic structure at the interface between the ferromagnetic electrodes and the insulating barrier dominates the MR signal. The former sample exhibits a clear tunneling anisotropic MR (TAMR), with the characteristic correlation between resistance and current direction, in contrast to the latter sample which displays a conventional tunneling MR (TMR) dominated by the relative orientation between the magnetization directions of the two electrodes. In addition, the TAMR has a much stronger temperature dependence than the TMR, indicating a much faster drop-off of the tunneling density of states anisotropy than the tunneling electron spin polarization with increasing temperature. Finally, we propose a possible simple way to distinguish TAMR from normal TMR by measuring the resistance of the device at different angles of the external magnetic field. 2008 American Institute of Physics.
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43.
  • Liu, Ruisheng, et al. (author)
  • Tunneling anisotropic magnetoresistance in Co/AlOx/Au tunnel junctions
  • 2008
  • In: Nano letters (Print). - Washington : American Chemical Society. - 1530-6984 .- 1530-6992. ; 8:3, s. 848-852
  • Journal article (peer-reviewed)abstract
    • We observe spin-valve-like effects in nanoscaled thermally evaporated Co/AlOx/Au tunnel junctions. The tunneling magnetoresistance is anisotropic and depends on the relative orientation of the magnetization direction of the Co electrode with respect to the current direction. We attribute this effect to a two-step magnetization reversal and an anisotropic density of states resulting from spin-orbit interaction. The results of this study points to future applications of novel spintronics devices involving only one ferromagnetic layer.
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44.
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48.
  • Mahani, Mohammad Reza, et al. (author)
  • Effect of As vacancies on the binding energy and exchange splitting of Mn impurities on a GaAs surface
  • 2012
  • In: Bulletin of the American Physical Society, APS March Meeting 2012,  Volume 57, Number 1. ; , s. L14.00002-
  • Conference paper (other academic/artistic)abstract
    • State-of-the-art STM spectroscopy is nowadays able to manipulate and probe the magnetic properties of individual magnetic impurities located near the surface of a semiconductor. A recent advance of these technique employs the electric field generated by a As vacancy in GaAs to affect the environment surrounding substitutional Mn impurities in the host material [1]. Here we calculate the binding energy of a single Mn dopant in the presence of nearby As vacancies, by using a recently-introduced tight-binding method [2] that is able to capture the salient features of Mn impurities near the (110) GaAs surface. The As vacancies, modeled by the repulsive potential they produce, are expected to decrease the acceptor binding energy in agreement with experiment [1]. Within this theoretical model, we investigate the possible enhancement of the exchange splitting for a pair of ferromagnetically ordered Mn impurities, observed experimentally when As vacancies are present [3]. We also calculate the response of the Mn-impurity---As-vacancy complex to an external magnetic field. \\[4pt] [1] H. Lee and J. A. Gupta, Science, 1807-1810, (2010). \\[0pt] [2] T. O. Strandberg, C. M. Canali, A. H. MacDonald, Phys. Rev. B 80, 024425, (2009). \\[0pt] [3] J.A. Gupta, private communication.
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49.
  • Mahani, Mohammad Reza, et al. (author)
  • Effect of magnetic field on the local density of states of Mn acceptor magnets in GaAs
  • 2011
  • In: Bulletin of the American Physical Society, Volume 56, Number 1. ; , s. W15.00002-
  • Conference paper (other academic/artistic)abstract
    • Advances in atomic manipulation, real-space imagining and spectroscopic power of STM techniques have recently made it possible to investigate the local electronic properties of a few substitutional Mn impurities inserted in the GaAs surfaces [1]. Theoretical work [2] predicts that the local density of states in the vicinity of the Mn impurities should depend strongly on the direction of the Mn magnetic moment. In contrast, recent STM experiments [3] from several groups find a negligible dependence of the tunneling LDOS on the magnetic field direction for applied fields up to 7 T. Based on tight- binding calculations we interpret these findings by arguing that large LDOS signals require large angle moment rotations, and that the strength of the magnetic field used in present experiments is not strong enough to substantially modify the magnetic anisotropy landscape of Mn impurities near the GaAs surface.\\[4pt] [1] D. Kitchen et al., Nature, 442, 436 (2006); J. K. Garleff et al., Phys. Rev. B 82, 035303 (2010).\\[0pt] [2] T. O. Strandberg, C. M. Canali, and A. H. MacDonald, Phys. Rev. B 80, 024425 (2009). [3] P. M. Koenraad, Private Communication.
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50.
  • Mahani, Mohammad Reza, et al. (author)
  • Electric manipulation of the Mn-acceptor binding energy and the Mn-Mn exchange interaction on the GaAs (110) surface by nearby As vacancies
  • 2015
  • In: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 92:4
  • Journal article (peer-reviewed)abstract
    • We investigate theoretically the effect of nearby As (arsenic) vacancies on the magnetic properties of substitutional Mn (manganese) impurities on the GaAs (110) surface, using a microscopic tight-binding model which captures the salient features of the electronic structure of both types of defects in GaAs. The calculations show that the binding energy of the Mn-acceptor is essentially unaffected by the presence of a neutral As vacancy, even at the shortest possible VAs--Mn separation. On the other hand, in contrast to a simple tip-induced-band-bending theory and in agreement with experiment, for a positively charged As vacancy the Mn-acceptor binding energy is significantly reduced as the As vacancy is brought closer to the Mn impurity. For two Mn impurities aligned ferromagnetically, we find that nearby charged As vacancies enhance the energy level splitting of the associated coupled acceptor levels, leading to an increase of the effective exchange interaction. Neutral vacancies leave the exchange splitting unchanged. Since it is experimentally possible to switch reversibly between the two charge states of the vacancy, such a local electric manipulation of the magnetic dopants could result in an efficient real-time control of their exchange interaction.
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