Half-metalicity, mechanical, optical, thermodynamic, and thermoelectric properties of full Heusler alloys Co2TiZ (Z = Si; Ge; Sn)
Abstract We have predicted Co2TiZ (Z= Si; Ge and Sn) full Heusler alloys are being a half-
metallic ferromagnet by the first-principle calculations using FPLAPW based on DFT. The …
metallic ferromagnet by the first-principle calculations using FPLAPW based on DFT. The …
Half-metallicity, magnetic and optical attributes of mechanically stable half-Heusler VSnX (X= Pt, Pd) alloys for spintronics: a DFT study
Recent developments in spintronics reveal the significance of half-Heusler alloys due to
their high spin polarization. Using Wien2k package, half-Heusler VSnX (X= Pt, Pd) alloys …
their high spin polarization. Using Wien2k package, half-Heusler VSnX (X= Pt, Pd) alloys …
Thermodynamic, electronic, magnetic, thermoelectric, and optical properties of full Heuslers compounds Co2TiAl(Ga, In): A First principles study
In this study, we investigated the thermodynamic, band structure, density of states, magnetic,
thermoelectric and optical properties of Co2TiAl, Co2TiGa, and Co2TiIn full Heuslers in the …
thermoelectric and optical properties of Co2TiAl, Co2TiGa, and Co2TiIn full Heuslers in the …
[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 …
Study of optical, magnetic, electronic, thermodynamic and mechanical properties of effect of substitution Co on Ti site on half metallicity of XA type ordering of Ti2 …
Abstract Both Ti2FeGe and CoTiFeGe compounds were designed based on density
functional theory within GGA and mBJ-GGA approximations. Lattice parameter optimization …
functional theory within GGA and mBJ-GGA approximations. Lattice parameter optimization …
Study of New d0 Half-Metallic Half-Heusler Alloy MgCaB: First-Principles Calculations
A Abada, N Marbouh - Journal of Superconductivity and Novel Magnetism, 2020 - Springer
Using first-principles calculations based on the density functional theory (DFT) within the
generalized gradient approximation (GGA) for the exchange correlation potential, we have …
generalized gradient approximation (GGA) for the exchange correlation potential, we have …
Effect of point defects and lattice distortions on the structural, electronic, and magnetic properties of Heusler alloy
The effects of various point defects and lattice distortions have been studied on the
structural, electronic, and magnetic properties of the Co 2 MnAl alloy, considering the …
structural, electronic, and magnetic properties of the Co 2 MnAl alloy, considering the …
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 …
First-principles calculations to investigate electronic structure and magnetic, mechanical and thermodynamic properties of d0 half-Heusler LiXN (X= Na, K, Rb) alloys
Density functional theory (DFT) incorporating GGA-PBE approximation has been
implemented to study structural, electronic, magnetic, mechanical and thermodynamic …
implemented to study structural, electronic, magnetic, mechanical and thermodynamic …
[HTML][HTML] First-principles calculations to investigate structural, electronic, magnetic, thermodynamic, and thermoelectric properties of RbSrZ (Z= Ge and Sn) d0-d0 half …
The aim of this study is to examine the thermoelectric properties alongside the structural,
electronic, and magnetic properties of RbSrGe and RbSrSn d 0-d 0 half Heuslers. The full …
electronic, and magnetic properties of RbSrGe and RbSrSn d 0-d 0 half Heuslers. The full …