Valence band density of states of zinc-blende and wurtzite InN from x-ray photoemission spectroscopy and first-principles calculations
Valence band density of states of zinc-blende and wurtzite InN from x-ray photoemission spectroscopy and first-principles calculations
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DOI：
10.1103/physrevb.77.115213
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发表时间：
2008-03-01
影响因子：
3.7
通讯作者：
Schaff, W. J.
中科院分区：
文献类型：
--
作者：
King, P. D. C.;Veal, T. D.;Schaff, W. J.
采用高分辨率x射线光发射光谱和准粒子校正密度泛函理论研究了锌闪锌矿InN（001）的价带态密度（VB-DOS）。与其它III-V和II-VI型半导体化合物相似，锌闪锌矿VB-DOS具有三个主要特征区：初始DOS上升后的平台区，随后在该区域出现一个肩峰和第二个窄而强烈的峰。实验结果与理论结果基本一致。由于类价态的n2s态和类半态的In 4d态之间的相互作用，确定了s-d耦合的初步证据。对细锌矿InN（11 (2) / bar0）的测量和计算显示，产生与锌-闪锌矿InN相似的VB-DOS，尽管在这种情况下，非零晶体场和不同的布里渊带形状导致更复杂的能带结构，从而改变了DOS。在实验VB-DOS中，终端InN（11 (2) / bar0）表面也很明显，并对这些进行了讨论。
The valence band density of states (VB-DOS) of zinc-blende InN(001) is investigated using a combination of high-resolution x-ray photoemission spectroscopy and quasiparticle corrected density functional theory. The zinc-blende VB-DOS can be characterized by three main regions: a plateau region after the initial rise in the DOS, followed by a shoulder on this region and a second narrow but intense peak, similar to other III-V and II-VI semiconductor compounds. Good general agreement was observed between the experimental and theoretical results. Tentative evidence for an s-d coupling due to the interaction between valence-like N 2s states and semicore-like In 4d states is also identified. Measurements and calculations for wurtzite InN(11 (2) over bar0) are shown to yield a VB-DOS similar to that of zinc-blende InN, although the nonzero crystal field and different Brillouin zone shape in this case lead to a more complicated band structure which modifies the DOS. In adlayers terminating the InN(11 (2) over bar0) surface are also evident in the experimental VB-DOS, and these are discussed.