https://www.selleckchem.com/pr....oducts/ucl-tro-1938.
Moreover, the good agreement between the experimental XRD patterns and the simulated ones allows us to assign the predicted P6/mmm Na2Au and Fm3[combining macron]m Na3Au as the experimental structures at 59.6 GPa. Our work indicates that the modulation of pressure and chemical composition is a useful way to stabilize novel intermetallic compounds.In this paper, the electronic structure and transport properties of a ductile thermoelectric material α-Ag2S are examined using first-principles calculations combined with the Boltzmann tr
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