Relativistic electronic structure, effective masses, and inversion-asymmetry effects of cubic silicon carbide (3C-SiC).
Relativistic electronic structure, effective masses, and inversion-asymmetry effects of cubic silicon carbide (3C-SiC).
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立方碳化硅 (3C-SiC) 的相对论电子结构、有效质量和反演不对称效应。
DOI：
10.1103/physrevb.51.13150
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发表时间：
1995
期刊：
影响因子：
--
通讯作者：
Christensen
中科院分区：
文献类型：
--
作者：
Willatzen;Cardona;Christensen
在局域密度近似下，采用相对论线性muffin-tin轨道方法计算了3C-SiC的电子结构.矩阵元素，有效质量，Luttinger参数，以及线性和立方自旋分裂由于反转不对称效应的信息提取比较与k\ensuremath{\cdot}p计算。还讨论了离子度和横向有效电荷。以这种方式确定的参数随后被用作扩展的16\ifmmode\times\else\texttimes\fi{}16 k\ensuremath{\cdot}p计算的输入，以便获得在[100]，[110]和[111]方向上\ensuremath{\Gamma}点周围的较高价和较低导带态的详细能带结构。
We present relativistic linear-muffin-tin-orbital calculations of the electronic structure of zinc-blende-type silicon carbide (3C-SiC) within the local-density approximation. Information about matrix elements, effective masses, Luttinger parameters, as well as linear and cubic spin splittings due to inversion-asymmetry effects is extracted by comparison with k\ensuremath{\cdot}p calculations. Ionicity and transverse effective charge are also discussed. The parameters determined in this way are subsequently used as input in an extended 16\ifmmode\times\else\texttimes\fi{}16 k\ensuremath{\cdot}p calculation so as to obtain the detailed band structure of the higher valence and the lower conduction band states around the \ensuremath{\Gamma} point in the [100], [110], and [111] directions.