Relative stability and phase transitions under pressure of SrTiO3: ab initio FP-LAPW within GGA-PBEsol+TB-mBJ calculations

Improving the modified Becke-Johnson exchange potential

(2012) David Koller et al.   PHYSICAL REVIEW B

Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities

(2011) A. Janotti et al.   PHYSICAL REVIEW B

First-principles calculations of lattice dynamics in CdTiO3and CaTiO3: Phase stability and ferroelectricity

(2011) Hiroki Moriwake et al.   PHYSICAL REVIEW B

Elasticity of SrTiO3perovskite under high pressure in cubic, tetragonal and orthorhombic phases

(2010) A Hachemi et al.   PHYSICA SCRIPTA

Structural and optical properties of CaTiO3 perovskite-based materials obtained by microwave-assisted hydrothermal synthesis: An experimental and theoretical insight

(2009) Mario L. Moreira et al.   ACTA MATERIALIA

Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential

(2009) Fabien Tran et al.   PHYSICAL REVIEW LETTERS

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

(2008) D. I. Bilc et al.   PHYSICAL REVIEW B

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS