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Electronic Structure Of Bas And Boride Iii-V Alloys, Gus L. W. Hart, Alex Zunger
Electronic Structure Of Bas And Boride Iii-V Alloys, Gus L. W. Hart, Alex Zunger
Faculty Publications
Boron arsenide, the typically ignored member of the Group-III–V arsenide series BAs-AlAs-GaAs-InAs is found to resemble silicon electronically: its Γ conduction-band minimum is p-like (Γ15), not s-like (Γ1c), it has an X1c-like indirect band gap, and its bond charge is distributed almost equally on the two atoms in the unit cell, exhibiting nearly perfect covalency. The reasons for these are tracked down to the anomalously low atomic p orbital energy in the boron and to the unusually strong s–s repulsion in BAs relative to most other Group-III–V compounds. We find unexpected valence-band offsets of BAs with respect to GaAs and …
Electronic Structure Of Cu1-Xnixrh2s4 And Curh2se4: Band-Structure Calculations, X-Ray Photoemission, And Fluorescence Measurements, Gus L. W. Hart, W. E. Pickett, E. Z. Kurmaev, M. Neumann, D. Hartmann, A. Moewes, D. L. Ederer, R. Endoh, K. Taniguchi, S. Nagata
Electronic Structure Of Cu1-Xnixrh2s4 And Curh2se4: Band-Structure Calculations, X-Ray Photoemission, And Fluorescence Measurements, Gus L. W. Hart, W. E. Pickett, E. Z. Kurmaev, M. Neumann, D. Hartmann, A. Moewes, D. L. Ederer, R. Endoh, K. Taniguchi, S. Nagata
Faculty Publications
The electronic structure of spinel-type Cu1-xNixRh2S4 (x=0.0, 0.1, 0.3, 0.5, 1.0) and CuRh2Se4 compounds has been studied by means of x-ray photoelectron (SPS) and fluorescent spectroscopy. Cu L3, Ni L3, S L2,3, and Se M2,3 x-ray emission spectra (XES) were measured near thresholds at Beamline 8.0 of the Lawrence Berkeley Laboratory's Advanced Light Source. XES measurements of the constituent atoms of these compounds, reduced to the same binding energy scale, are found to be in excellent agreement with XPS valence bands. The calculated XES spectra which include dipole matrix elements show that the partial density of states reproduce experimental spectra …