Insight into elastic anisotropy, mechanical and dynamical stability, electronic properties, bonding and weak interactions analysis of LuAuSn Half-Heusler
Despite their great interest showing that LuAuSn half-Heusler is a topologically trivial
semimetal, most of information about its physical behaviors seem rather remote from …
semimetal, most of information about its physical behaviors seem rather remote from …
A new candidate for optoelectronic device applications: CoTiX (X: P, As, Sb) half-heusler compounds
Some theoretical calculations of CoTiX (X: P, As, Sb) Half-Heusler (HH) compounds in
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …
MgAgAs-type structure have been analyzed using density functional theory (DFT). These …
Ferrimagnetic half metals TaMnZ (Z= As, Sb, Bi) for thermoelectric and spintronic applications–Material computations
Half metals possess coupling behavior of metals and semiconductors with wide heat
transport and spin transport properties. This research article covers the structural …
transport and spin transport properties. This research article covers the structural …
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 …
Optical and thermodynamic properties of half-heusler compound tairsn: using modified becke-johnson (mbj)
A Touia, M Benkhaled, C Khobzaoui… - … of Superconductivity and …, 2021 - Springer
A detailed theoretical study of structural, electronic, optical, and thermodynamic properties of
Half-Heusler TaIrSn has been described using a full potential linearized augmented plane …
Half-Heusler TaIrSn has been described using a full potential linearized augmented plane …
The effect of phonon-phonon interaction in Ta based Heusler alloys for accurate phonon transport properties
S Manickam, K Fujiwara - Journal of the Taiwan Institute of Chemical …, 2025 - Elsevier
Background Lattice thermal conductivity is critical property that influences the efficiency of
thermoelectric materials. Understanding the underlying mechanisms including phonon …
thermoelectric materials. Understanding the underlying mechanisms including phonon …
Photovoltaic and thermoelectric properties of Ag2MnGeS4_Kesterite: First-principal investigations
The electro-optical and thermoelectric properties of the Ag 2 MnGeS 4 _Kesterite were
investigated via the density functional theory DFT. N-type direct semiconductor in the Г point …
investigated via the density functional theory DFT. N-type direct semiconductor in the Г point …
DFT Studies on Electronic, Elastic, Thermoelectric and Optical Properties of New Half-Heusler XRhZ (X= V, Nb and Z= Si, Ge) Semiconductors
Density functional theory is used to explore the physical properties of the new half-Heusler
alloys XRhZ (X= V, Nb and Z= Si, Ge). The exchange-correlation effects were treated by the …
alloys XRhZ (X= V, Nb and Z= Si, Ge). The exchange-correlation effects were treated by the …
The Effect of Phonon-Phonon Interaction in Ta Based Heusler Alloys for Accurate Phonon Transport Properties
K Fujiwara - papers.ssrn.com
The density functional theory employed in Vienna Ab initio Simulation Package (VASP) is
used to perform structural, phonon, mechanical and electronic properties of TaMnTe and …
used to perform structural, phonon, mechanical and electronic properties of TaMnTe and …