Effect of L21 and XA ordering on structural, martensitic, electronic, magnetic, elastic, thermal and thermoelectric properties of Co2FeGe Heusler alloys
Based on density functional theory (DFT), the structural, martensitic transition, band
structure, density of states, elastic, magnetic, and thermoelectric properties of L2 1 and XA …
structure, density of states, elastic, magnetic, and thermoelectric properties of L2 1 and XA …
ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials
We introduce a computational method and a user-friendly code with a terminal-based
graphical user interface (GUI), named ElATools, developed to analyze mechanical and …
graphical user interface (GUI), named ElATools, developed to analyze mechanical and …
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 …
[HTML][HTML] Review of Moiré superconductivity and application of the Roeser-Huber formula
MR Koblischka, A Koblischka-Veneva - Superconductivity, 2024 - Elsevier
Moiré superconductivity represents a new class of superconducting materials since the
discovery of superconductivity in magic-angle (1.1°) twisted bi-layer graphene (MATBG) …
discovery of superconductivity in magic-angle (1.1°) twisted bi-layer graphene (MATBG) …
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 …
Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L21 and xa phases of Ti2fege heusler compound: GGA and GGA+U …
Both L21 and XA type phases ordering of Ti2FeGe compound were investigated based on
density functional theory. The structural, magnetic, band structure, density of states …
density functional theory. The structural, magnetic, band structure, density of states …
First-principles investigations of the structural, optoelectronic, magnetic and thermodynamic properties of hydride perovskites XCuH3 (X= Co, Ni, Zn) for hydrogen …
Hydrogen storage in current years has become significant and momentous for researcher's
interest because hydrogen as an energy source can be utilized. In the current study, the …
interest because hydrogen as an energy source can be utilized. In the current study, the …
Understanding the ultralow thermal conductivity and strong anharmonicity of a lanthanum-based germanium halide monolayer for possible thermoelectric applications
Low-dimensional materials outperform their bulk equivalents in terms of thermal and
electronic charge transport phenomena. Ultralow thermal conductivity in thermoelectric (TE) …
electronic charge transport phenomena. Ultralow thermal conductivity in thermoelectric (TE) …
First‐principles study on structural, electronic, magnetic, elastic, mechanical and thermodynamic properties of Mn2PtCo Heusler alloy
V Srivastava, N Kaur, X Wang… - … Journal of Energy …, 2021 - Wiley Online Library
The structural, electronic, magnetic, mechanical and thermodynamic properties of the
Mn2PtCo Heusler alloy have been investigated in the frame work of density functional theory …
Mn2PtCo Heusler alloy have been investigated in the frame work of density functional theory …
Structural and mechanical stabilities, electronic, magnetic and thermophysical properties of double perovskite Ba2LaNbO6: Probed by DFT computation
SA Mir, DC Gupta - International Journal of Energy Research, 2021 - Wiley Online Library
The potential of a material to switch the squander heat into electricity depends on the
magnitude of conductivities and the Seebeck coefficient. In this comprehensive report, we …
magnitude of conductivities and the Seebeck coefficient. In this comprehensive report, we …