Structural, elastic and optoelectronic properties of the hydrogen based perovskite compounds: Ab-initio study
Sign Up to like & getrecommendations! Published in 2018 at "Chinese Journal of Physics"
DOI: 10.1016/j.cjph.2017.11.021
Abstract: Abstract The structural, elastic, electronic and optical properties of the cubic CaMH3 (M=Ni and Pd) compounds are investigated using first principle calculations based on the density functional theory (DFT) as implemented in the Wien2k code.… read more here.
Keywords: structural elastic; optoelectronic properties; optoelectronic; properties hydrogen ... See more keywords
Structural, elastic and optoelectronic characteristics of Be Zn1−S, Be Zn1−Se and Be Zn1−Te alloys-a density functional based FP-LAPW study
Sign Up to like & getrecommendations! Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00384
Abstract: Abstract Structural, elastic and optoelectronic features of BexZn1−xS, BexZn1−xSe and BexZn1−xTe alloys are computed employing DFT based FP-LAPW approach. Structural features with WC-GGA functional show that lattice constant decrease and bulk modulus increase nonlinearly with… read more here.
Keywords: system; based lapw; structural elastic; zn1 zn1 ... See more keywords
Structural, elastic and optoelectronic properties of inorganic cubic FrBX3 (B = Ge, Sn; X = Cl, Br, I) perovskite: the density functional theory approach
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra00546h
Abstract: Inorganic metal-halide cubic perovskite semiconductors have become more popular in industrial applications of photovoltaic and optoelectronic devices. Among various perovskites, lead-free materials are currently most explored due to their non-toxic effect on the environment. In… read more here.
Keywords: elastic optoelectronic; functional theory; optoelectronic properties; structural elastic ... See more keywords