Investigation of the structural, mechanical, optoelectronic and, thermoelectric characteristics of cubic GeTiO3: An ab initio study
The structural, mechanical, optical, and thermoelectric properties of the cubic perovskite
GeTiO 3 is investigated using the first-principle method. The full potential linearized
augmented plane wave (FP-LAPW) approach is used to solve the Kohn–Sham equations.
The local density approximation (LDA), generalized gradient approximation (GGA), and
modified Becke-Johnson (mBJ) exchange potentials are used for exchange-correlation
effects. The computed lattice constant is in accordance with the experimental results. The …
GeTiO 3 is investigated using the first-principle method. The full potential linearized
augmented plane wave (FP-LAPW) approach is used to solve the Kohn–Sham equations.
The local density approximation (LDA), generalized gradient approximation (GGA), and
modified Becke-Johnson (mBJ) exchange potentials are used for exchange-correlation
effects. The computed lattice constant is in accordance with the experimental results. The …
以上显示的是最相近的搜索结果。 查看全部搜索结果