CoMnCrGa: a novel ferromagnetic material with high spin-polarization for room temperature spintronics
Here, we report the synthesis of a novel quaternary Heusler alloy CoMnCrGa and its
structural, magnetic, transport and electronic properties using both experimental and …
structural, magnetic, transport and electronic properties using both experimental and …
Control of spin on structural stability, mechanical, magneto-optoelectronic and thermodynamic properties of RbTaX (X= P and As) materials: Emerging candidates for …
In the present work, the density functional theory has been utilised in inspecting the ground
state-structural, electronic, magnetic, optical, elastic and thermodynamic properties of new …
state-structural, electronic, magnetic, optical, elastic and thermodynamic properties of new …
First-principles investigation of the electronics, optical, mechanical, thermodynamics and thermoelectric properties of Na based Quaternary Heusler alloys (QHAs) …
R Zosiamliana, L Kima, Z Mawia, L Zuala… - Journal of Physics …, 2023 - iopscience.iop.org
In this study, we explored the electronic and thermoelectric (TE) properties of the Na-based
Quaternary Heusler Alloys (QHAs) NaHfXGe (X= Co, Rh, Ir) using density functional theory …
Quaternary Heusler Alloys (QHAs) NaHfXGe (X= Co, Rh, Ir) using density functional theory …
First-principles analysis of the structural, thermodynamic, elastic and thermoelectric properties of LuXCo2Sb2 (X= V, Nb and Ta) double half Heusler alloys
We used the pseudopotential plane wave approach, as implemented in the Quantum
Espresso program, to investigate the impact of X atoms (V, Nb, and Ta) on the physical …
Espresso program, to investigate the impact of X atoms (V, Nb, and Ta) on the physical …
Ab-initio investigation of structural, electronic, thermoelectric and optical properties of Full-Heusler X2MnB (X= Ti, Zr) for energy harvesting applications
Q Peng, N Iram, R Sharma, A Kumar… - Inorganic Chemistry …, 2024 - Elsevier
In this manuscript comprehensive first-principles calculations have been presented for Full-
Heusler X 2 MnB (X= Ti, Zr) compounds. This work includes detailed observations of the …
Heusler X 2 MnB (X= Ti, Zr) compounds. This work includes detailed observations of the …
Insight into the improved thermoelectric and optoelectronic performances of CsZnCl3-aYa (Y= C, N and a= 0, 1) halide perovskite for UV absorber and energy …
V Srivastava, R Sharma - Materials Science and Engineering: B, 2024 - Elsevier
The perovskite halide materials namely CsZnCl 3-a Y a (Y= C, N and a= 0, 1) have been
studied in the frame work of density functional theory (DFT). These materials are computed …
studied in the frame work of density functional theory (DFT). These materials are computed …
First principles study of magneto-electronic and thermoelectric properties of quaternary CoZrMnSb for spintronics and waste heat recovery energy applications
A Azam, N Erum, R Sharma, V Srivastava… - Optical and Quantum …, 2024 - Springer
In this study CoZrMnSb, a quaternary Heusler alloy has been explored utilizing the density
functional theory based simulation package WIEN2k. The structural analysis exhibits an X1 …
functional theory based simulation package WIEN2k. The structural analysis exhibits an X1 …
Physical properties of CoX'ZrGa (X'= V, Cr) quaternary-Heuslers: A first-principles investigation
NO Nenuwe, SE Kpuwhara - Physica B: Condensed Matter, 2024 - Elsevier
The prime intention of this investigation is to examine the magnetic, thermoelectric,
mechanical, electrical, structural, and thermodynamic characteristics of CoVZrGa and …
mechanical, electrical, structural, and thermodynamic characteristics of CoVZrGa and …
Comparative analysis of electronic, mechanical, vibrational, thermodynamical and thermoelectric properties of Li based quaternary Heusler's LiNbRhAl, LiNbRhGa …
L Suktel, SM Saini - Computational Condensed Matter, 2024 - Elsevier
We have performed a comprehensive demonstration of electrical, structural, dynamical,
mechanical, thermodynamical and transport properties of Li based LiNbRhZ (Z= Al, Ga, and …
mechanical, thermodynamical and transport properties of Li based LiNbRhZ (Z= Al, Ga, and …
Comprehensive investigation of Li-based novel quaternary Heusler LiTiPdZ (Z= Al, Ga, In) compounds for thermoelectric performance
L Suktel, SM Saini - Physica Scripta, 2024 - iopscience.iop.org
In the present article, we used Density Functional Theory and the Boltzmann transport
equation to study the structural, electronic, and thermoelectric (TE) properties along with …
equation to study the structural, electronic, and thermoelectric (TE) properties along with …