Electronic structure and fundamental properties of MoX2 (X=Te, Se and S) compound materials at high pressures and elevated temperatures
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DOI: 10.1016/j.cocom.2021.e00574
Abstract: Abstract Structural parameters, electronic band structure, optical spectra and thermal properties of hexagonal MoX2 (X = Te, Se and S) compound materials are investigated. The computations are performed using density-functional calculations within the generalized gradient approximation. All… read more here.
Keywords: structure fundamental; mox2 compound; structure; electronic structure ... See more keywords