Structural, mechanical, magnetic, electronic, and thermal investigations of Ag2YB (Y = Nd, Sm, Gd) full-Heusler alloys
B Asma, F Belkharroubi, A Ibrahim, B Lamia… - Emergent …, 2021 - Springer
A series of full-Heusler based on rare earth Ag2YB (Y= Nd, Sm, Gd) are studied by
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
linearized augmented plane waves with total potential (FP-LAPW) method. We have …
Investigation of structural, elastic, electronic, and magnetic proprieties for X2LuSb (X = Mn and Ir) full-Heusler alloys
L Samia, F Belkharroubi, A Ibrahim, BF Lamia… - Emergent …, 2022 - Springer
A study on the structural, elastic, electronic, and magnetic properties of full-Heusler X2LuSb
(X= Mn and Ir) compounds by using the first principle calculations within generalized …
(X= Mn and Ir) compounds by using the first principle calculations within generalized …
Investigation of the physical properties of the equiatomic quaternary Heusler alloy CoYCrZ (Z= Si and Ge): a DFT study
In this manuscript, we investigate the physical properties such as the magnetic and the
electronic properties of the Co-based equiatomic quaternary Heusler alloy CoYCrZ (Z= Si …
electronic properties of the Co-based equiatomic quaternary Heusler alloy CoYCrZ (Z= Si …
Impact of 5d electrons on half metallic ferromagnetism, and thermoelectric properties of Cs2Z (Cl/Br) 6 (Z= Os, Ir) for spintronic applications
Half metallicity is an appealing platform for emerging spintronic applications. The
researchers are focusing to find out the best material for such an application. Here, we …
researchers are focusing to find out the best material for such an application. Here, we …
First-principles calculations to investigate structural stability, half-metallic behavior, thermophysical and thermoelectric properties of Co2YAl (Y= Mo, Tc) full Heusler …
A Kumar, SA Sofi, T Chandel, N Thakur - Computational and Theoretical …, 2023 - Elsevier
The present manuscript reports structural stability, half-metallic behavior, thermophysical
and thermoelectric properties of Co 2 MoAl and Co 2 TcAl full Heusler compounds using first …
and thermoelectric properties of Co 2 MoAl and Co 2 TcAl full Heusler compounds using first …
Origin of semiconductor and half‐metallic behaviors in the perovskite materials RbXF3 (X = Co, Mn, Fe or V): A GGA + U approach
In this paper, we study and discuss the structural, and electronic properties of the RbXF3 (X=
Co, Mn, V or Fe) Perovskite Materials using the Density Functional Theory (DFT). Also, the …
Co, Mn, V or Fe) Perovskite Materials using the Density Functional Theory (DFT). Also, the …
Earth-abundant nontoxic ternary calcium nitrides inverse perovskites for single-junction solar cells: Ab-initio simulations
S Dahbi, N Tahiri, O El Bounagui… - Materials Science in …, 2022 - Elsevier
A single-junction solar cell with a direct and ideal photovoltaic forbidden bandgap value
which maximizes the photon absorbed is needed for the diversity of solar energy …
which maximizes the photon absorbed is needed for the diversity of solar energy …
Determination of structural stability, elastic, thermal and half metallic behavior of CoZrVZ (Z= Al, Ga, In, Sn) quaternary Heusler alloys: A DFT study
Physical characteristics of new quaternary Heusler alloys (QHAs) CoZrVZ (Z= Al, Ga, In, Sn)
are determined employing first-principles calculations. Perdew-Burke-Ernzerhof (PBE) …
are determined employing first-principles calculations. Perdew-Burke-Ernzerhof (PBE) …
Structural, electronic and magnetic properties of CoZrIrSi quaternary Heusler alloy: First-principles study
G Forozani, AAM Abadi, SM Baizaee… - Journal of Alloys and …, 2020 - Elsevier
Spin polarized structural, electronic and magnetic properties of new quaternary Heusler
alloy CoZrIrSi have been studied using the first-principles calculation based on density …
alloy CoZrIrSi have been studied using the first-principles calculation based on density …
Pressure induced physical variations in the lead free fluoropervoskites XYF3 (X= K, Rb, Ag; Y= Zn, Sr, Mg): optical materials
The optical and electronic properties of fluoro-perovskites XYF 3 (X= K, Ag, Rb; Y= Zn, Sr,
Mg) were investigated under pressure ranging from 0 to 50 GPa, utilizing full potential …
Mg) were investigated under pressure ranging from 0 to 50 GPa, utilizing full potential …