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Electronic, Elastic, Vibrational and Thermodynamic Properties of HfIrX (X = As, Sb and Bi) Compounds: Insights from DFT-Based Computer Simulation

Arıkan, Nihat; Dikici Yıldız, Gökçen; Yıldız, Yasin Göktürk; İyigör, Ahmet (Springer, 2020)

Ab-initio calculations were performed to reveal and thoroughly understand the structural, electronic, elastic, thermodynamic and vibrational properties of HfIrX (X = As, Sb and Bi) compounds in the C1b phase. Basic physical ...