Half-metallic property of the bulk and (001) surfaces of MNaCs (M= P, As) half-Heusler alloys: A density functional theory approach
M Rostami - Surface Science, 2018 - Elsevier
The structural, electronic and half-metallic properties of bulk and (001) surfaces of MNaCs
(M= P, As) half-Heusler alloys are investigated. The half-metallic property have been …
(M= P, As) half-Heusler alloys are investigated. The half-metallic property have been …
Investigation of half-metallic properties of bulk compounds XCsK (X= N, P, and As) and AsCsK (001) surfaces
F Baghoulizadeh, F Ahmadian, A Boochani - Applied Physics A, 2023 - Springer
First principles calculations were performed using full potential linearized augmented plane
wave (FPLAPW) method based on density functional theory (DFT) to study electronic …
wave (FPLAPW) method based on density functional theory (DFT) to study electronic …
Site-Preference, Electronic, Magnetic, and Half-Metal Properties of Full-Heusler Sc2VGe and a Discussion on the Uniform Strain and Tetragonal Deformation Effects
Z Chen, H Xu, Y Gao, X Wang, T Yang - Crystals, 2019 - mdpi.com
A hypothetical full-Heusler alloy, Sc2VGe, was analyzed, and the comparison between the
XA and L21 structures of this alloy was studied based on first-principles calculations. We …
XA and L21 structures of this alloy was studied based on first-principles calculations. We …
First-principles study on the structure, magnetism, and electronic properties in inverse Heusler alloy Ti2FeAl/GaAs (100) heterojunction
B Wu, H Huang, P Li, T Zhou, G Zhou, Y Feng… - Superlattices and …, 2019 - Elsevier
The interface structure stability, atomic displacement, atom-resolved magnetism, electronic
properties, and spin polarization of 12 possible atomic terminations in Ti 2 FeAl/GaAs (100) …
properties, and spin polarization of 12 possible atomic terminations in Ti 2 FeAl/GaAs (100) …
Bandgap engineering of the (001) oriented thin-films of the Heusler alloys Co2‒xFexCrAl (x= 0.00, 0.25, 0.50, 0.75 or 1.00)
I Muhammad, JM Zhang, A Ali, YH Huang, XM Wei… - Thin Solid Films, 2020 - Elsevier
Materials which possess 100% spin-polarization (SP) at their thin-film form are essential for
spintronic devices. The half-metallicity has been predicted theoretically in many Co-based …
spintronic devices. The half-metallicity has been predicted theoretically in many Co-based …