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cond-mat.mtrl-sci2022
A comparative study of the physical properties of layered transition metal nitride halides MNCl (M = Zr, Hf): DFT based insights
Shaher Azad, B. Rahman Rano, Ishtiaque M. Syed +1
ZrNCl and HfNCl belong to a class of layered transition metal nitride halides MNCl (M= Zr,H). They are from the space group R-3m (No-166) and crystallize in the rhombohedral struct…
cond-mat.mtrl-sci2022
An ab initio approach to understand the structural, thermophysical, electronic, and optical properties of binary silicide SrSi2: A double Weyl semimetal
Suptajoy Barua, B. Rahman Rano, Ishtiaque M. Syed +1
A large number of hitherto unexplored elastic, thermophysical, acoustic, and optoelectronic properties of a double Weyl semimetal SrSi2 have been investigated in this study. Densit…