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Electronic, structural, thermodynamic, and mechanical stabilities, half-metallicity, and thermoelectric performances of CE-based half-Heusler

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Physical, electronic and thermoelectric properties of [001] surfaces of TiCoSb half-Heusler compound

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Introduction of resonant states and enhancement of thermoelectric properties in half-Heusler alloys

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Thermoelectric and thermodynamic properties of half-Heulser alloy YPdSb from first principles calculations

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initio study of phase transition and thermodynamic properties of PtN

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First-principles study of the rocksalt–cesium chloride relative phase stability in alkali halides

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Computational Investigation of Thermoelectric, Optical and Electronic Properties of Y-Based Half-Heuslers

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Calculations of the thermal expansion, cohesive energy and thermodynamic stability of a Van der Waals crystal-fullerene C60

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First-principle study of electronic structure and stability of Sn0. 5Sb0. 5O2

10.1016/j.physb.2011.03.048 · doi-reference

BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

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Gibbs2: A new version of the quasiharmonic model code. II. Models for solid-state thermodynamics, features and implementation

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Gibbs2: A new version of the quasi-harmonic model code. I. Robust treatment of the static data

10.1016/j.cpc.2011.04.016 · doi-reference

GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model

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Accurate band gaps of semiconductors and insulators<? format?> with a semilocal exchange-correlation potential

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Generalized gradient approximation made simple

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Solid state calculations using WIEN2k

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Structural, electronic, mechanical and magnetic properties of Mn based ferromagnetic half Heusler alloys: A first principles study

10.1016/j.jallcom.2017.03.092 · doi-reference

Heusler alloys: Past, properties, new alloys, and prpower faospects

10.1016/j.pmatsci.2022.101017 · doi-reference

Structural, electronic, magnetic and thermodynamic properties of the new multifunctional half-Heusler alloy CoTcSn: Half-metallic and ferromagnetic behaviour

10.1007/s12043-021-02125-w · doi-reference

Electronic structure and chemical bonding in half-Heusler phases

10.1016/j.jallcom.2006.08.316 · doi-reference

Calculated magneto-optical Kerr spectra of the half-Heusler compounds AuMnX (X= In, Sn, Sb)

10.1088/0953-8984/19/31/315216 · doi-reference

Advances in half-Heusler alloys for thermoelectric power generation

10.1039/d1ma00707f · doi-reference

Superconductivity in the Heusler alloy Pd2YbPb."

10.1016/j.jallcom.2006.04.027 · doi-reference

Electronic structure, mechanical, dynamical and thermoelectric properties of osmium-based half-Heusler alloys: A first-principles concept

10.1209/0295-5075/adc152 · doi-reference

10.1103/physrevlett.50.2024

10.1103/physrevlett.50.2024 · doi-reference

Ferrimagnetism and disorder of epitaxial Mn2−xCoxVAl Heusler compound thin films

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