Recalculate Structural, Elastic, Electronic, and Thermal Properties in LaAlO<sub>3&

• 作 者: Abdelkader Boudali Fatiha Saad
• 机 构: LaboratoryofPhysico-chemicalStudies
• 出 处: 材料物理与化学进展(英文)
• 发表日期: 2013年2期
• 关键词: Ab-Initio Calculations ELASTIC Properties ELECTRONIC Structure THERMODYNAMIC Ab-

We study the structural, elastic and electronic properties of perovskite insulator LaAlO3 using two different methods: the full-potential linearized augmented plane wave method and the pseudo-potential plane wave scheme in the frame of generalized gradien