Half metallic Heusler alloys XMnGe (X= Ti, Zr, Hf) for spin flip and thermoelectric device application–Material computations
The ground state properties of XMnGe (X= Ti, Zr, Hf) magnetic half Heusler alloys have been
investigated through density functional theory. Two different exchange correlation …
investigated through density functional theory. Two different exchange correlation …
Thermoelectric and Magnetic Properties of Biphasic ZrFe0.5Ni0.5Sb Double Half-Heusler and ZrNiSb Half-Heusler Induced by Co Doping
Improving the efficiency of upcoming thermoelectric (TE) materials and exploring their
potential for various niche applications are among the promising strategies for addressing …
potential for various niche applications are among the promising strategies for addressing …
Strain induced ductile to brittle transitions of NiNbAl half-Heusler alloy
R John, D Vishali - Journal of Physics and Chemistry of Solids, 2024 - Elsevier
The present work is to explore the effect of strain on NiNbAl, half-Heusler alloy. We have
investigated the properties of NiNbAl half-Heusler alloy using Density Functional Theory …
investigated the properties of NiNbAl half-Heusler alloy using Density Functional Theory …
Enhancing thermoelectric properties in TiNiSi structure-type semimetal ZrNiSi by doping
The orthorhombic TiNiSi structure-type compounds show interesting electronic structures
comprising in most cases a pseudogap in the density of states and several small electron …
comprising in most cases a pseudogap in the density of states and several small electron …
Computational analysis on novel half Heusler alloys XPdSi (X= Ti, Zr, Hf) for waste heat recycling process
M Srinivasan, JB Sudharsan, K Fujiwara - Materials Science in …, 2024 - Elsevier
We have investigated the electronic, thermodynamic, mechanical, and thermoelectric
properties of ternary Heusler alloys XP d S i (X= T i, Z r, H f) based on 18 valence electron …
properties of ternary Heusler alloys XP d S i (X= T i, Z r, H f) based on 18 valence electron …
The structural, mechanical, electronic, lattice dynamics and thermodynamic properties of TaTSi (T= Rh, Os, Ir) compounds by first-principles calculations
Y Guo, X Yang, R Guo - Computational and Theoretical Chemistry, 2024 - Elsevier
We have performed a theoretical calculation, based on density functional theory, to
investigate the structural, mechanical, electronic, lattice dynamics, and thermodynamic …
investigate the structural, mechanical, electronic, lattice dynamics, and thermodynamic …
Thermoelectric properties and Kondo transition in the pseudo‐gap metals TiNiSi and TiNiGe
RA Downie, BF Kennedy, R Biswas… - Zeitschrift für …, 2023 - Wiley Online Library
Materials with the TiNiSi structure have recently been highlighted as potential thermoelectric
materials. Here we report the thermoelectric properties of TiNiX (X= Si and Ge). Both …
materials. Here we report the thermoelectric properties of TiNiX (X= Si and Ge). Both …