Theoretical Study on the Origins of the Gap Bowing in Mg<sub>x</sub>Zn&a

• 作 者: F. Z. Aoumeur-Benkabou M. Amer
• 机 构: LaboratoiredeMicroscopie
• 出 处: 材料科学建模与数值模拟(英文)
• 发表日期: 2012年3期
• 关键词: FP-LMTO Method Structural and Electronic Properties MgxZn1–xO Alloy BOWING FP-LM

The full potential linear muffin-tin orbital (FP-LMTO) method was applied to study the structural and electronic properties of the compounds MgO, ZnO and their alloy MgxZn1–xO in the zincblende and NaCl structures. Results are obtained using the local den