Structural, Electronic, Elastic, and Thermoelectric Properties of Eco‐Friendly A 2 ZrNiO 6 (A = Sr, Ba) Doubled Perovskites via Ab‐Initio Approach
In the present investigation, Sr 2 ZrNiO 6 and Ba 2 ZrNiO 6 were examined using full‐potential augmented plane wave (FP‐APW) method based on density functional theory, with particular emphasis on their structural, electronic, mechanical, and thermoelectric characteristics. The equilibrium structural paramet...