Structural, electronic, elastic, and thermal properties of CaNiH<sub>3</sub> perovskite obtained from first-principles calculations

Structural, electronic, elastic, and thermal properties of CaNiH₃ perovskite obtained from first-principles calculations

Benlamari S¹, Bendjeddou H¹, Boulechfar R¹, Amara Korba S¹, Meradji H^{1, †}, Ahmed R², Ghemid S¹, Khenata R^{3, ‡}, Bin Omran S⁴

Calculated total energy versus volume for CaNiH₃ using GGA approximation.