First-principles calculations of the structural, elastic, electronic and optical properties of Si2P2O and Ge2P2O at high pressures
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DOI: 10.1016/j.cjph.2018.06.028
Abstract: Abstract The structures of Si2P2O and Ge2P2O with the space group Cmc21 are derived. The structural, mechanical, elastic anisotropy, electronic and optoelectronic properties are calculated by first principles calculations based on density functional theory (DFT)… read more here.
Keywords: si2p2o ge2p2o; gpa gpa; states states; principles calculations ... See more keywords