Conduction‐band minima of InP: Ordering and absolute energies
Conduction‐band minima of InP: Ordering and absolute energies
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InP 的导带最小值：有序和绝对能量
DOI：
10.1063/1.103886
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发表时间：
1990
影响因子：
4
通讯作者：
M. Cardona
中科院分区：
文献类型：
--
作者：
S. Zollner;U. Schmid;N. Christensen;M. Cardona
由于InP的导带结构仍然存在争议，我们进行了从头开始的线性松饼锡轨道（LMTO）能带结构计算，以获得高精度的价带。 LMTO 基于局域密度近似 (LDA)，该近似存在众所周知的“带隙问题”。因此，我们将计算出的价带能量与仔细评估的文献光学数据相结合，并确认导带间分离能 ΔEΓL=0.86±0.02 eV 和 ΔEΓX=0.96±0.02 eV。我们还给出了新的经验局部赝势形状因子，经过调整以重现这些实验值。
Since the conduction‐band structure of InP is still controversial, we perform an ab initio linear muffin tin orbital (LMTO) band structure calculation to obtain the valence bands with high accuracy. The LMTO is based on the local density approximation (LDA) which suffers from the well known ‘‘band‐gap problem.’’ We therefore combine our calculated valence‐band energies with carefully evaluated optical data from the literature and confirm the interconduction‐band separation energies ΔEΓL=0.86±0.02 eV and ΔEΓX=0.96±0.02 eV. We also give new empirical local pseudopotential form factors adjusted to reproduce these experimental values.