A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2021; you can also visit the original URL.
The file type is application/pdf
.
Structural, electronic, and elastic properties of Tetragonal Sr0.5Be0.5TiO3: Ab-initio calculation
2021
Revista mexicana de física
In this theoretical study, we presents for the first time, to the best of our knowledge, the structural, electronic and elastic properties of perovskite Sr0.5Be0.5TiO3 type structure (Tetragonal), P4/mmm, space group, 123.using full potential linearized augmented plane wave (FP-LAPW) method on the basis of density functional theory (DFT) integrated in the Wien2k code . The generalized gradient approximation (GGA-PBEsol) and local density approximation has been used for the exchange correlation
doi:10.31349/revmexfis.67.299
fatcat:7wqcmnb4avfxbjkmg26zqtdirm