| 1. |
- Wu, Han-Chun, et al.
(författare)
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Large positive in-plane magnetoresistance induced by localized states at nanodomain boundaries in graphene
- 2017
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Ingår i: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723. ; 8
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Tidskriftsartikel (refereegranskat)abstract
- Graphene supports long spin lifetimes and long diffusion lengths at room temperature, making it highly promising for spintronics. However, making graphene magnetic remains a principal challenge despite the many proposed solutions. Among these, graphene with zig-zag edges and ripples are the most promising candidates, as zig-zag edges are predicted to host spin-polarized electronic states, and spin-orbit coupling can be induced by ripples. Here we investigate the magnetoresistance of graphene grown on technologically relevant SiC/Si(001) wafers, where inherent nanodomain boundaries sandwich zig-zag structures between adjacent ripples of large curvature. Localized states at the nanodomain boundaries result in an unprecedented positive in-plane magnetoresistance with a strong temperature dependence. Our work may offer a tantalizing way to add the spin degree of freedom to graphene.
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| 2. |
- Bagrov, Andrey A., et al.
(författare)
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Suppressing backscattering of helical edge modes with a spin bath
- 2019
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 100:19
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Tidskriftsartikel (refereegranskat)abstract
- We address the question of stability of protected helical edge states at the boundary of two-dimensional topological insulators upon interactions with the external bath. We study how backscattering amplitude changes when different interaction channels between the system and the environment are present. Drawing an analogy with the concept of pointer states in theory of open quantum systems, we demonstrate that in a certain regime the interplay between the Coulomb and the spin-spin interactions can make the backscattering process strictly irrelevant, and the helical modes become robust states with a well-defined momentum. This opens a possibility to use the external spin bath as a stabilizer that alleviates destructive effects and restores the helicity protection.
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| 3. |
- Chimata, Raghuveer, et al.
(författare)
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All-thermal switching of amorphous Gd-Fe alloys : Analysis of structural properties and magnetization dynamics
- 2015
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 92:9
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Tidskriftsartikel (refereegranskat)abstract
- In recent years there has been an intense interest in understanding the microscopic mechanism of thermally induced magnetization switching driven by a femtosecond laser pulse. Most of the effort has been dedicated to periodic crystalline structures while the amorphous counterparts have been less studied. By using a multiscale approach, i.e., first-principles density functional theory combined with atomistic spin dynamics, we report here on the very intricate structural and magnetic nature of amorphous Gd-Fe alloys for a wide range of Gd and Fe atomic concentrations at the nanoscale level. Both structural and dynamical properties of Gd-Fe alloys reported in this work are in good agreement with previous experiments. We calculated the dynamic behavior of homogeneous and inhomogeneous amorphous Gd-Fe alloys and their response under the influence of a femtosecond laser pulse. In the homogeneous sample, the Fe sublattice switches its magnetization before the Gd one. However, the temporal sequence of the switching of the two sublattices is reversed in the inhomogeneous sample. We propose a possible explanation based on a mechanism driven by a combination of the Dzyaloshinskii-Moriya interaction and exchange frustration, modeled by an antiferromagnetic second-neighbor exchange interaction between Gd atoms in the Gd-rich region. We also report on the influence of laser fluence and damping effects in the all-thermal switching.
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| 4. |
- Fashandi, Hossein, et al.
(författare)
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Dirac points with giant spin-orbit splitting in the electronic structure of two-dimensional transition-metal carbides
- 2015
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 92:15
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Tidskriftsartikel (refereegranskat)abstract
- We investigated the structural and electrical properties of 2D MXene sheets by means of firstprinciples density functional theory (DFT) calculations. To describe the Kohn-Sham states, plane wave basis set and projector augmented wave method (PAW) were used as implemented in the Vienna ab initio Simulation Package (VASP). We applied PBE parameterization of the generalized gradient approximation of the exchange and correlation energy functional to account for many-body effects of the interacting electron system. Convergent sampling of the Brillouin-zone was achieved by a Γ-centered 15×15×1 grid. In order to model a single sheet of MXene we ensured at least 30 Å vacuum between the periodically repeated sheets. For the structural optimization 1×10−3 eV/Å force criteria was used. The relativistic spin-orbit coupling effects were also included in our simulations regarding band structure and density of states.
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| 5. |
- Locht, Inka Laura Marie, 1986-
(författare)
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Cohesive and Spectroscopic properties of the Lanthanides within the Hubbard I Approximation
- 2015
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Licentiatavhandling (övrigt vetenskapligt/konstnärligt)abstract
- We describe the rare-earth elements using the Hubbard I approximation. We show that the theory reproduces the cohesive properties, like the volume and bulk modulus, and we find an excellent agreement between theory and experiment for the (inverse) photo emission spectra of the valence band. In addition we reproduce the spin and orbital moments of these elements. This licentiate thesis contains an introduction to the cohesive, magnetic and spectral properties of the rare-earth elements, to density functional theory and to density functional theory in combination with dynamical mean-field theory within the Hubbard I approximation. We also focus on some technical details, e.g. the optimal basis used in the electronic structure code and the role of charge self-consistency in properly describing the valence electrons.
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| 6. |
- Peters, Lars, et al.
(författare)
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Magnetism and exchange interaction of small rare-earth clusters; Tb as a representative
- 2016
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Ingår i: Scientific Reports. - : Nature Publishing Group. - 2045-2322. ; 6
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Tidskriftsartikel (refereegranskat)abstract
- Here we follow, both experimentally and theoretically, the development of magnetism in Tb clusters from the atomic limit, adding one atom at a time. The exchange interaction is, surprisingly, observed to drastically increase compared to that of bulk, and to exhibit irregular oscillations as a function of the interatomic distance. From electronic structure theory we find that the theoretical magnetic moments oscillate with cluster size in exact agreement with experimental data. Unlike the bulk, the oscillation is not caused by the RKKY mechanism. Instead, the inter-atomic exchange is shown to be driven by a competition between wave-function overlap of the 5d shell and the on-site exchange interaction, which leads to a competition between ferromagnetic double-exchange and antiferromagnetic super-exchange. This understanding opens up new ways to tune the magnetic properties of rare-earth based magnets with nano-sized building blocks.
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| 7. |
- Sun, Weiwei, et al.
(författare)
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A new 2D monolayer BiXene, M2C (M = Mo, Tc, Os)
- 2016
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Ingår i: Nanoscale. - : Royal Society of Chemistry (RSC). - 2040-3364 .- 2040-3372. ; 8:34, s. 15753-15762
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Tidskriftsartikel (refereegranskat)abstract
- The existence of BiXenes, a new family of 2D monolayers, is hereby predicted. Theoretically, BiXenes have 1H symmetry (P (6) over bar m2) and can be formed from the 4d/5d binary carbides. As the name suggests, they are close relatives of MXenes, which instead have 1T symmetry (P (3) over bar m1). The newly found BiXenes, as well as some new MXenes, are shown to have formation energies close to that of germanene, which suggests that these materials should be possible to be synthesised. Among them, we illustrate that 1H-Tc2C and 1T-Mo2C are dynamically stable at 0 K, while 1H-Mo2C, 1T-Tc2C, 1H-Os2C, and 1T-Rh2C are likely to be stabilised via strain or temperature. In addition, the nature of the chemical bonding is analysed, emphasizing that the covalency between the transition metal ions and carbon is much stronger in BiXenes than in MXenes. The emergence of BiXenes can not only open up a new era of conducting 2D monolayers, but also provide good candidates for carrier materials aimed at energy storage and spintronic devices that have already been unveiled in MXenes.
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| 8. |
- Tal, Alexey, et al.
(författare)
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Pressure-induced crossing of the core levels in 5d metals
- 2016
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 93:20, s. 205150-
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Tidskriftsartikel (refereegranskat)abstract
- A pressure-induced interaction between core electrons, the core-level crossing (CLC) transition, has been observed in hcp Os at P approximate to 400 GPa [L. Dubrovinsky et al., Nature (London) 525, 226 (2015)]. By carrying out a systematic theoretical study for all metals of the 5d series (Hf, Ta, W, Re, Os, Ir, Pt, Au) we have found that the CLC transition is a general effect for this series of metals. While in Pt it occurs at approximate to 1500 GPa, at a pressure substantially higher than in Os, in Ir it occurs already at 80 GPa. Moreover, we predict that in Re the CLC transition may take place already at ambient pressure. We explain the effect of the CLC and analyze the shift of the transition pressure across the series within the Thomas-Fermi model. In particular, we show that the effect has many common features with the atomic collapse in rare-earth elements.
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| 9. |
- Yudin, Dmitry, et al.
(författare)
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Dynamics of quasiparticles in graphene under intense circularly polarized light
- 2015
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Ingår i: Physical Review B Condensed Matter. - 0163-1829 .- 1095-3795. ; 91:7
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Tidskriftsartikel (refereegranskat)abstract
- A monolayer of graphene irradiated with circularly polarized light suggests a unique platform for surface electromagnetic wave (plasmon-polariton) manipulation. In fact, the time periodicity of the Hamiltonian leads to a geometric Aharonov-Anandan phase and results in a photovoltaic Hall effect in graphene, creating off-diagonal components of the conductivity tensor. The latter drastically changes the dispersion relation of surface plasmon-polaritons, leading to hybrid wave generation. In this paper we present a systematic and self-contained analysis of the hybrid surface waves obtained from Maxwell equations based on a microscopic formula for the conductivity. We consider a practical example of graphene sandwiched between two dielectric media and show that in the one-photon approximation there is formation of propagating hybrid surface waves. From this analysis emerges the possibility of a reliable experimental realization to study Zitterbewegung of charge carriers of graphene.
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