Density Functional Theory(DFT) Study of Alkali-Metal-Based Half-Heusler Compound NaCrSb
Michael E. Ishaje, Anozie Faustina & Godwin O. Igomah · Journal of Pharmaceutical Research International · 2024
In this study we investigated half-heusler alloy (NaCrSb) using density functional theory as implemented in Quantum espresso software version qe-6.8 for simulation on ubuntu operating system version 22.04LTS. The Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GG...
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