376 citations · 1.2k across the 18 of their papers we have counts for
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Tailoring properties of Heusler alloys by elemental substitution and electron counting: (CoMn)FeGe, Co(FeMn)Ge, and (CoFe)MnGe
R. Mahat, S. Budhathoki, S. Regmi +6
Rational material design by elemental substitution is useful in tailoring materials to have desirable properties. Here we consider three non-equivalent substitutional series based…
Computational Investigation of Inverse-Heusler compounds for Spintronics Applications
Jianhua Ma, Jiangang He, Dipanjan Mazumdar +6
First-principles calculations of the electronic structure, magnetism and structural stability of inverse-Heusler compounds with the chemical formula \textit{XYZ} are presented…
Computational Investigation of Half-Heusler Compounds for Spintronics Applications
Jianhua Ma, Vinay I. Hegde, Kamaram Munira +6
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 half-Heusler compounds (with …
Electronic Structure of Magnetic Semiconductor CdCr_2Te_4: A Possible Spin-Dependent Symmetry Filter
Hunter Sims, Karthik Ramasamy, William H. Butler +1
We present a theoretical investigation of the electronic and magnetic structure of spinel CdCr_2Te_4 using density functional theory, its extensions via onsite Hubbard U interactio…
Theoretical investigation into the possibility of very large moments in Fe16N2
H. Sims, W. H. Butler, M. Richter +4
We examine the mystery of the disputed high-magnetization α"-Fe16N2 phase, employing the Heyd-Scuseria-Ernzerhof screened hybrid functional method, perturbative many-body correctio…
Effects of 3-d and 4-d-transition metal substitutional impurities on the electronic properties of CrO2
M. E. Williams, H. Sims, D. Mazumdar +1
We present first-principles based density functional theory calculations of the electronic and magnetic structure of CrO2 with 3d (Ti through Cu) and 4d (Zr through Ag) substitutio…