Theoretical prediction by DFT on properties of β′-SrTa2O6 crystal
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DOI: 10.2298/pac2301001a
Abstract: Based on the Density Functional Theory (DFT) electronic band structure, state density, linear optics, elastic, dynamic and thermodynamic properties of ??-SrTa2O6 crystal with P4/mbm (No. 127) space group were investigated with the help of ABINIT… read more here.
Keywords: dft; theoretical prediction; srta2o6 crystal; properties srta2o6 ... See more keywords