Metastable phases, phase transformation and properties of AlAs based on first-principle study
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DOI: 10.1016/j.commatsci.2016.11.052
Abstract: Abstract By utilizing an evolutionary methodology on crystal structure search, we propose three new metastable phases for aluminum arsenide (AlAs) as follows: (1) a P6422 symmetric structure (hP6-AlAs), (2) a C222 symmetric structure (oC12-AlAs), and… read more here.
Keywords: first principle; oc12 hp6; hp6 alas; metastable phases ... See more keywords