44 citations · 120 across the 13 of their papers we have counts for
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Accurate Ground State Electronic and Related Properties of Hexagonal Boron Nitride (h-BN)
Y. Malozovsky, C. Bamba, A. Stewart +2
We present an ab initio, self consistent density functional theory (DFT) description of ground state electronic and related properties of hexagonal boron nitride (hex-BN). We used…
Comments on All-electron self-consistent GW in the Matsubara-time domain: Implementation and benchmarks of semiconductors and insulators
Diola Bagayoko, Yacouba Issa Diakite, Lashounda Franklin
Chu et al. recently reported extensive results of local density approximation (LDA) and of four (4) different Green function and dressed Coulomb (GW) approximation calculations of…
Comments on All-electron mixed basis GW calculations of TiO2 and ZnO crystals
Diola Bagayoko, Yacouba Issa Diakité, Chinedu E. Ekuma +1
These brief comments on the article in Phys. Rev. B 93, 155116 (2016), address an inadvertent misrepresentation of the capabilities of density functional theory (DFT) and of its lo…
Accurate Electronic, Transport, and Bulk Properties of Gallium Arsenide (GaAs)
Yacouba Issa Diakite, Sibiri D. Traore, Yuriy Malozovsky +3
We report accurate, calculated electronic, transport, and bulk properties of zinc blende gallium arsenide (GaAs). Our ab-initio, non-relativistic, self-consistent calculations empl…
Calculated Electronic and Related Properties of Wurtzite and Zinc Blende Gallium Nitride (GaN)
Yacouba Issa Diakité, Sibiry D. Traoré, Yuriy Malozovsky +3
We report calculated, electronic and related properties of wurtzite and zinc blende gallium nitrides (w-GaN, zb-GaN). We employed a local density approximation (LDA) potential and…
Ab-Initio computations of electronic and transport properties of wurtzite aluminum nitride
Ifeanyi H. Nwigboji, John I. Ejembi, Yuriy Malozvosky +5
We report findings from several ab-initio, self-consistent calculations of electronic and transport properties of wurtzite aluminum nitride. Our calculations utilized a local densi…