Band offsets in cubic GaN/AlN superlattices
Band offsets in cubic GaN/AlN superlattices
复制标题
立方 GaN/AlN 超晶格中的能带偏移
DOI：
--
复制
发表时间：
2011
期刊：
影响因子：
--
通讯作者：
D. As
中科院分区：
文献类型：
--
作者：
C. Mietze;M. Landmann;E. Rauls;H. Machhadani;S. Sakr;M. Tchernycheva;F. Julien;W. Schmidt;K. Lischka;D. As
通过子带间光谱和带间光谱以及从头计算研究了非极性立方GaN/AlN超晶格中目前未知的带偏移。一方面，在有效质量近似下，通过测量跃迁能与模型计算的比较，确定了导带偏移量（CBO）。另一方面，在混合泛函密度泛函理论计算的基础上，通过计算GW近似内的多体修正，精确模拟了价带偏移（VBO）和CBO。因此，两种方法得到的CBO为（1.4{+-}0.1）eV， VBO为（0.5{+-}0.1）eV。
The presently unknown band offset in nonpolar cubic GaN/AlN superlattices is investigated by inter-sub-band and interband spectroscopies as well as ab initio calculations. On one hand, the conduction-band offset (CBO) has been determined from the comparison of the measured transition energies with model calculations within the effective mass approximation. On the other hand, the valence-band offset (VBO) and the CBO are accurately simulated by calculating many-body corrections within the GW approximation on top of hybrid-functional density functional theory calculations. Thus, a CBO of (1.4{+-}0.1) eV and a VBO of (0.5{+-}0.1) eV is obtained as a result of both approaches.