| 1. |
- Vos, M., et al.
(författare)
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Determination of the energy-momentum densities of aluminium by electron momentum spectroscopy
- 1999
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 11:18, s. 3645-3661
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Tidskriftsartikel (refereegranskat)abstract
- The energy-resolved momentum densities of thin polycrystalline aluminium films have been measured using electron momentum spectroscopy (EMS), for both the valence band and the outer core levels. The spectrometer used for these measurements has energy and momentum resolutions of around 1.0 eV and 0.15 atomic units, respectively. These measurements should, in principle, describe the electronic structure of the film very quantitatively, i.e. the dispersion and the intensity can be compared directly with theoretical spectral momentum densities for both the valence band and the outer core levels. Multiple scattering is found to hamper the interpretation somewhat. The core-level intensity distribution was studied with the main purpose of setting upper bounds on these multiple-scattering effects. Using this information we wish to obtain a full understanding of the valence band spectra using different theoretical models of the spectral function. These theoretical models differ significantly and only the cumulant expansion calculation that takes the crystal lattice into account seems to describe the data reasonably well.
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| 2. |
- Karlsson, Krister, 1961-, et al.
(författare)
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Spin-wave excitation spectra of nickel and iron
- 2000
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Ingår i: Physical Review B Condensed Matter. - : American Physical Society. - 0163-1829 .- 1095-3795. ; 62:5, s. 3006-3009
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Tidskriftsartikel (refereegranskat)abstract
- A Green’s function formalism for calculating spin-wave excitations is developed for practical calculations and tested for real solids. The mapping to the Heisenberg Hamiltonian commonly used in spin-wave calculations is avoided, making the formalism suitable for both localized and itinerant magnetic systems. To test the formalism, we have calculated the spin-wave spectra and dispersions of ferromagnetic Fe and Ni. The results prove to be in very good agreement with experiment and some novel features are predicted.
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| 3. |
- Ulfat, I., et al.
(författare)
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Effects of nonuniform Mn distribution in (Ga,Mn)As
- 2014
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Ingår i: Physical Review B Condensed Matter. - : American Physical Society. - 0163-1829 .- 1095-3795. ; 89:4, s. art no 045312-
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Tidskriftsartikel (refereegranskat)abstract
- Resonant in situ photoemission from Mn 3d states in Ga(1−x)MnxAs is reported for Mn concentrations down to the very dilute level of 0.1%. Concentration-dependent spectral features are analyzed on the basis of first-principles calculations for systems with selected impurity positions as well as for random alloys. Effects of direct Mn-Mn interaction are found for concentrations as low as 2.5%, and are ascribed to statistical (nonuniform) distribution of Mn atoms.
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| 4. |
- Di Marco, Igor, et al.
(författare)
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Electron correlations in MnxGa1-xAs as seen by resonant electron spectroscopy and dynamical mean field theory
- 2013
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Ingår i: Nature Communications. - : Springer Science and Business Media LLC. - 2041-1723 .- 2041-1723. ; 4, s. 6-
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Tidskriftsartikel (refereegranskat)abstract
- After two decades since the discovery of ferromagnetism in manganese-doped gallium arsenide, its origin is still debated, and many doubts are related to the electronic structure. Here we report an experimental and theoretical study of the valence electron spectrum of manganese-doped gallium arsenide. The experimental data are obtained through the differences between off- and on-resonance photo emission data. The theoretical spectrum is calculated by means of a combination of density-functional theory in the local density approximation and dynamical mean field theory, using exact diagonalization as impurity solver. Theory is found to accurately reproduce measured data and illustrates the importance of correlation effects. Our results demonstrate that the manganese states extend over a broad range of energy, including the top of the valence band, and that no impurity band splits-off from the valence band edge, whereas the induced holes seem located primarily around the manganese impurity.
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| 5. |
- Kanski, Janusz, 1946, et al.
(författare)
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Electronic structure of (Ga,Mn)As revisited
- 2017
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Ingår i: New Journal of Physics. - : Institute of Physics (IOP). - 1367-2630. ; 19:2, s. 1-8
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Tidskriftsartikel (refereegranskat)abstract
- The detailed nature of electronic states mediating ferromagnetic coupling in dilute magnetic semiconductors, specifically (Ga,Mn)As, has been an issue of long debate. Two confronting models have been discussed emphasizing host band vs. impurity band carriers. Using angle resolved photoemission we show that the electronic structure of the (Ga,Mn)As system is significantly modified from that of GaAs throughout the valence band. Close to the Fermi energy, the presence of Mn induces a strong mixing of the bulk bands of GaAs, which results in the appearance of a highly dispersive band in the gap region of GaAs.For Mn concentrations above 1% the band reaches the Fermi level, and can thus host the delocalized holes needed for ferromagnetic coupling. Overall, our data provide a firm evidence of delocalized carriers belonging to the modified host valence band.
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| 6. |
- Karlsson, Krister, 1961-
(författare)
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Electronic Structure Calculations: Materials with Weak and Strong Correlations
- 1992
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- This thesis is devoted to studies of various electronic properties which can be extracted from photoemission spectroscopy. Both weakly and strongly correlated systems are discussed, ranging from free electron metal surfaces to strongly correlated copper oxide compounds. In order to study such a variety of systems, different calculational schemes have to be employed. This work is mainly based on band structure calculations using the local density approximation. However, for strongly correlated systems the need for model Hamiltonians is crucial. Subjects discussed are: * inverse photoemission spectra from the Cd(0001) surface obtained by a multiple scattering formalism. The results are in good agreement with recent experimental data. Especially, the one-step model is used to demonstrate image states excitations by secondary beams. * artificial structures, such as semiconductor heterojunctions and short-period superlattices, which are of vital importance for modern electronic devices. A method for tuning the band offset at semiconductor interfaces is proposed; by varying (n,m) for the GaAs/(AlAs)n(GaAs)m interface, the magnitude of the valence band offset can be designed. The metallic superlattice Mo/V was also studied, with emphasis on the application of hydrogen storage. * Schottky barrier heights. Final state screening effects can influence the Schottky barrier height, as deduced from measured core level shifts. According to our calculations, such effects may be of the order 0.1-0.2 eV. * chemical shifts in Cu2O, CuO and NaCuO2, where the Cu atom is formally mono-, di- and trivalent. We find similar chemical shifts between Cu atoms in YBa2Cu3O6.5 as between the Cu atoms in the model compounds. This suggests that different Cu atoms in YBa2Cu3O6.5 are formally mono-, di- and trivalent. The Cu 2p core level spectra were calculated using the Anderson impurity model, with parameters obtained from ab initio calculations. The results are related to the formal valence of Cu, and can be explained by a charge counting argument.
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| 7. |
- Aryasetiawan, F., et al.
(författare)
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Multiple Plasmon Satellites in Na and Al Spectral Functions from Ab Initio Cumulant Expansion
- 1996
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Ingår i: Physical Review Letters. - : American Physical Society. - 0031-9007 .- 1079-7114. ; 77:11, s. 2268-2271
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Tidskriftsartikel (refereegranskat)abstract
- The valence photoemission spectra of alkali metals exhibit multiple plasmon satellite structure. The calculated spectral functions within the GW approximation show only one plasmon satellite at too large binding energy. In this Letter we use the cumulant expansion approach to obtain the spectral functions of Na and Al from ab initio calculations including the effects of band structure. The GW spectral functions are dramatically improved and the positions of the multiple plasmon satellites are in very good agreement with experiment while their intensities cannot be explained from intrinsic effects only.
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| 8. |
- Mankefors, S., et al.
(författare)
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Theoretical investigation of the thickness dependence of soft-x-ray emission from thin AlAs(100) layers buried in GaAs
- 2000
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Ingår i: Physical Review B Condensed Matter. - : American Physical Society. - 0163-1829 .- 1095-3795. ; 61:8, s. 5540-5545
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Tidskriftsartikel (refereegranskat)abstract
- Ultrathin AlAs(100) layers of 1-, 2-, and 5-ML thickness buried in GaAs are investigated by ab initio calculations. Unique experimental soft-x-ray emission spectra are explained in terms of interface effects and changes with layer thickness are found in the density of states. Only the central layer in the 5-ML geometry is bulklike. A valence-band offset of 0.53 eV is also found for this structure, while no offset exists in the 1- and 2-ML cases. Very good agreement is achieved between theory and experiment.
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| 9. |
- Agui, A., et al.
(författare)
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Direct observation of interface effects of thin AlAs(100) layers buried in GaAs
- 2000
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Ingår i: Applied Surface Science. - : Elsevier. - 0169-4332 .- 1873-5584. ; 166:1-4, s. 309-312
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Tidskriftsartikel (refereegranskat)abstract
- A study of the electronic structure of ultrathin AlAs layers buried in GaAs(100) and their interfaces is presented. Al L2,3 soft-X-ray-emission (SXE) spectra from the AlAs layers were measured. The spectra show distinct thickness-dependent features, which are reproduced using ab initio calculations.
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| 10. |
- Alfredsson, Svante, et al.
(författare)
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A closed-form solution to statically indeterminate adhesive joint problems — exemplified on ELS-specimens
- 2008
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Ingår i: International Journal of Adhesion and Adhesives. - : Elsevier. - 0143-7496 .- 1879-0127. ; 28:7, s. 350-361
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Tidskriftsartikel (refereegranskat)abstract
- A beam/adhesive-layer model is developed. For this model a closed-form solution method applicable to arbitrary boundary conditions is presented. This enables the solution of a large number of practical problems which may be statically indeterminate. The stress state in the adhesive layer and the adherends of the beam/adhesive-layer model is also scrutinized. The method is exemplified in an analysis of the end-loaded split (ELS) specimen, commonly used to determine fracture energies of adhesive layers. The effect of the flexibility of the adhesive layer on the energy release rate and the critical crack length for stable crack growth is examined. Both symmetric and unsymmetric ELS-specimens are studied.
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