Band structure nonlocal pseudopotential calculation of the III-nitride wurtzite phase materials system.: Part II.: Ternary alloys AlxGa1-xN, InxGa1-xN, and InxAl1-xN
Band structure nonlocal pseudopotential calculation of the III-nitride wurtzite phase materials system.: Part II.: Ternary alloys AlxGa1-xN, InxGa1-xN, and InxAl1-xN
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DOI：
10.1063/1.1309047
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发表时间：
2000-12-01
影响因子：
3.2
通讯作者：
Brennan, KF
中科院分区：
文献类型：
--
作者：
Goano, M;Bellotti, E;Brennan, KF
本文详细介绍了用虚晶近似方法计算的III-氮化物纤锌矿三元合金的能带结构。这项研究的关键成分是本工作第一部分中描述的一组现实的原子有效势，致力于组成二元化合物。该模型依赖于结构参数以及局部和非局部有效势的线性内插：不包括进一步的经验修正。计算了与载流子输运模拟相关的所有高对称点的能隙、价带宽度和电子有效质量对摩尔分数的依赖关系。(C)2000年美国物理研究所。[S0021-8979(00)08520-0]。
This work presents detailed information on the band structures of the III-nitride wurtzite ternary alloys, computed through the virtual crystal approximation approach. The key ingredient of this study is the set of realistic atomic effective potentials described in Part I of the present work, dedicated to the constituent binary compounds. The model relies on the linear interpolation of the structural parameters and of the local and nonlocal effective potentials: no further empirical corrections are included. The dependence on the mole fraction is computed for the energy gaps at all the high-symmetry points, the valence-band width, and the electron effective masses in the valleys relevant for carrier-transport simulation. (C) 2000 American Institute of Physics. [S0021-8979(00)08520-0].