[HTML][HTML] Structural, electronic, magnetic and vibrational properties of half-Heusler NaZrZ (Z= P, As, Sb) compounds
The structural, electronic, magnetic and vibrational properties of NaZrP, NaZrAs and NaZrSb
half-Heusler alloys have been investigated on the basis of density functional theory and …
half-Heusler alloys have been investigated on the basis of density functional theory and …
First principle study of structural, electronic and magnetic properties of half-Heusler IrCrZ (Z= Ge, As, sn and sb) compounds
First-principle calculations based on the density functional theory for new half-Heusler IrCrZ
(Z= Ge, As, Sn and Sb) alloys are performed. It is found that the half-Heusler IrCrGe and …
(Z= Ge, As, Sn and Sb) alloys are performed. It is found that the half-Heusler IrCrGe and …
Structural, electronic and magnetic properties of NaKZ (Z= N, P, As, and Sb) half-Heusler compounds: a first-principles study
The electronic and magnetic properties of the half-Heusler compounds of NaKZ (Z= N, P, As,
and Sb) are investigated on the basis of density functional theory. The spin-polarized …
and Sb) are investigated on the basis of density functional theory. The spin-polarized …
Bulk and surface DFT investigations of the electronic and magnetic properties of CsXNO (X= Mg, Ca and Sr) quaternary Heusler alloys
The structural, electronic and magnetic properties of the bulk and (001) surfaces of CsXNO
(X= Mg, Ca and Sr) quaternary Heusler alloys are investigated. It is found that all of the …
(X= Mg, Ca and Sr) quaternary Heusler alloys are investigated. It is found that all of the …
Bulk and surface half-metallicity of CsS in CsCl structure: a density functional theory study
The electronic and magnetic properties of CsS in CsCl structure have been investigated.
Comparisons between the total energies of CsS in different structures such as CsCl, zinc …
Comparisons between the total energies of CsS in different structures such as CsCl, zinc …
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 …
Bulk and surfaces half-metallicity of RbSe with zinc-blende structure: first-principles study
JMK Al-zyadi, AH Ati, KL Yao - Applied Physics A, 2020 - Springer
In this paper, the electronic, magnetic, and half-metallicity characteristics of the bulk as well
as (111) and (001) surfaces of zinc-bland RbSe compound are explained using the first …
as (111) and (001) surfaces of zinc-bland RbSe compound are explained using the first …
High spin polarization in formamidinium transition metal iodides: first principles prediction of novel half-metals and spin gapless semiconductors
HM Huang, ML Cao, ZY Jiang, YC Xiong… - Physical Chemistry …, 2019 - pubs.rsc.org
The electronic structure and magnetic properties of ten formamidinium transition metal
iodides in the ground state and under strain have been studied. These formamidinium …
iodides in the ground state and under strain have been studied. These formamidinium …
Half Metallic Properties of the Polymorphs of Rubidium Selenide Compound
OR Jolayemi, EN Wabululu, AE Duke… - IOP Conference Series …, 2024 - iopscience.iop.org
Half-metallic ferromagnets denote a specific category of compounds where one spin
channel exhibits a gap at the Fermi level, contrasting with the metallic nature of the other …
channel exhibits a gap at the Fermi level, contrasting with the metallic nature of the other …
First-Principles Study of the Half-Metallic Properties of (001),(110), and (111) Surfaces of RbSe in the CsCl Structure
OR Jolayemi, BI Adetunji, IJ Onuorah… - Journal of Electronic …, 2021 - Springer
We extend the study on the half-metallic ferromagnetism in bulk caesium chloride RbSe
compound [H. Xie, R. Ma, Q. Gao, L. Li, and J. Deng, Chemical Physics Letters 661, 89–93 …
compound [H. Xie, R. Ma, Q. Gao, L. Li, and J. Deng, Chemical Physics Letters 661, 89–93 …