Structural predictions of superconducting phase in tungsten ditellurides WTe2 from first-principles evolutionary techniques under high pressure
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DOI: 10.1016/j.commatsci.2021.110795
Abstract: Abstract High-pressure phases of WTe2 are investigated by using first-principles evolutionary algorithm technique. The novel monoclinic (C2/m) and tetragonal (I4/mmm) phases of WTe2 are found to be thermodynamically stable, as the material is compressed under… read more here.
Keywords: principles evolutionary; high pressure; first principles; mmm phases ... See more keywords