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Three-dimensional momentum-resolved electronic structure of 1T-TiSe2: A combined soft-x-ray photoemission and density functional theory study

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Three-dimensional momentum-resolved electronic structure of 1T-TiSe2: A combined soft-x-ray photoemission and density functional theory study

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Multicenter density functionals: revised expression of the standard approximations of exchange-correlation functional

Charge transition levels of the Ge dangling bond defect at Ge/insulator interfaces

Band offsets at the Si/SiO2 interface from many-body perturbation theory

Density-functional theory study of Au, Ag and Cu defects in germanium

Density-functional theory study of interstitial iron and its complexes with B and Al in dilute SiGe alloys

First principles investigation of defects at interfaces between silicon and amorphous high-kappa oxides

Electronic properties of an epitaxial silicon oxynitride layer on a 6H-SiC(0001) surface: A first-principles investigation

Electronic structure of an ordered Pb/Ag(111) surface alloy: Theory and experiment

Properties of La2-xSrxCuO4 under epitaxial strain

Core spin-polarization correction in pseudopotential-based electronic structure calculations