Structural, Electronic and Optical Properties of Te-Doped GaAs Nanowires： the First Principles Study

• 作 者: LAN Zi-Ping WEI Xiang-Hai WANG
• 机 构: CollegeofChemistryandChemicalEngineering,InstituteofAtomicandMolecularPhysics,CollegeofChemistryandM
• 出 处: 结构化学
• 发表日期: 2016年7期
• 关键词: 电子结构 光学性质 纳米线 碲掺杂 第一性原理 砷化镓 第一原理计算 稳定性分析 GaAs nanowires electronic structure opt
• 基金项目: supported by the Open Fund of State Key Laboratory of Information Photonics and Optical Communications（Beijing University of Posts and Telecommunications,China,No.2012LF1003）, the Research Foundation

The first-principles calculations have been performed to determine the effects of Te doping to the structural, electronic, and optical properties of Ga As NWs. The calculated formation energies show that the single Te energetically prefers to substitute t