First-principles study of elastic and thermal properties of scheelite-type molybdates and tungstates
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DOI: 10.1016/j.mtcomm.2020.101089
Abstract: Abstract First-principles calculations are carried out to study the physical properties of scheelite-type AMoO4 molybdates and AWO4 tungstates (A = Ca, Sr, Ba, and Pb). We consider two flavors for the exchange-correlation functional, the local-density… read more here.
Keywords: molybdates tungstates; type molybdates; properties scheelite; first principles ... See more keywords