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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…
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Keywords:
system;
based lapw;
structural elastic;
zn1 zn1 ... See more keywords