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cond-mat.mtrl-sci2025★ 3 cited
High pressure and temperature thermoelasticity of hcp osmium from ab initio quasi-harmonic theory
Xuejun Gong, Andrea Dal Corso
We present a systematic ab initio study of the thermoelastic properties of hcp osmium as functions of temperature and pressure within the quasi-harmonic approximation (QHA). The pr…
cond-mat.mtrl-sci2025★ 4 cited
Thermodynamic properties of fcc lead: A scalar and fully relativistic first principle study
Balaram Thakur, Xuejun Gong, Andrea Dal Corso
This study investigates the thermodynamic properties of face-centered cubic lead (fcc-Pb) using ab-initio methods within the quasi-harmonic approximation (QHA), examining the influ…