Electronic properties of GaxIn1−xP ternary alloy from first-principles
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- 作者：Arash Abdollahi ; arash_abdollahi60@yahoo.com" class="auth_mail" title="E-mail the corresponding author ; a.abdollahi@urmia.ac.ir" class="auth_mail" title="E-mail the corresponding author ; Mir Maqsood Golzan1 ; m.golzan@urmia.ac.ir" class="auth_mail" title="E-mail the corresponding author ; Korosh Aghayar2 ; k.aghayar@urmia.ac.ir" class="auth_mail" title="E-mail the corresponding author
- 关键词：GaxIn1&minus ; xP ; Effective band structure ; Supercell approach ; Effective mass ; Band gap
- 刊名：Computational Materials Science
- 出版年：2016
- 出版时间：July 2016
- 年：2016
- 卷：120
- 期：Complete
- 页码：70-76
- 全文大小：2485 K
文摘
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MBJ-M06 potential leads to accurate band structure for GaP, InP and their alloys.
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The spectral weight approach is applied to the band structure of GaxIn1−xP.
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Composition dependence of the gap energy and effective masses were estimated.
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Crossover point of direct and indirect gap, and bowing parameters were determined.