Materials Science and Engineering Program, University of California, San Diego, La Jolla, California 92093, USA.
J Chem Phys. 2010 Oct 28;133(16):164704. doi: 10.1063/1.3497040.
Interfacial bonding geometry and electronic structures of In(2)O on InAs and In(0.53)Ga(0.47)As(001)-(4×2) have been investigated by scanning tunneling microscopy/scanning tunneling spectroscopy (STM/STS). STM images show that the In(2)O forms an ordered monolayer on both InAs and InGaAs surfaces. In(2)O deposition on the InAs(001)-(4×2) surface does not displace any surface atoms during both room temperature deposition and postdeposition annealing. Oxygen atoms from In(2)O molecules bond with trough In/Ga atoms on the surface to form a new layer of O-In/Ga bonds, which restore many of the strained trough In/Ga atoms into more bulklike tetrahedral sp(3) bonding environments. STS reveals that for both p-type and n-type clean In(0.53)Ga(0.47)As(001)-(4×2) surfaces, the Fermi level resides near the valence band maximum (VBM); however, after In(2)O deposition and postdeposition annealings, the Fermi level position is close to the VBM for p-type samples and close to the conduction band minimum for n-type samples. This result indicates that In(2)O bonding eliminates surface states within the bandgap and forms an unpinned interface when bonding with In(0.53)Ga(0.47)As/InP(001)-(4×2). Density function theory is used to confirm the experimental finding.
通过扫描隧道显微镜/扫描隧道谱(STM/STS)研究了 In(2)O 在 InAs 和 In(0.53)Ga(0.47)As(001)-(4×2)上的界面键合几何形状和电子结构。STM 图像表明,In(2)O 在两种表面上均形成有序的单层。在室温沉积和沉积后退火过程中,In(2)O 沉积在 InAs(001)-(4×2)表面上不会置换任何表面原子。In(2)O 分子中的氧原子与表面的低谷 In/Ga 原子键合,形成新的 O-In/Ga 键层,使许多应变低谷 In/Ga 原子恢复到更类似于体的四面体 sp(3)键合环境。STS 表明,对于 p 型和 n 型清洁 In(0.53)Ga(0.47)As(001)-(4×2)表面,费米能级位于价带最大值(VBM)附近;然而,在 In(2)O 沉积和沉积后退火之后,费米能级位置接近 p 型样品的 VBM,接近 n 型样品的导带最小值。这一结果表明,In(2)O 键合消除了能带内的表面态,并在与 In(0.53)Ga(0.47)As/InP(001)-(4×2)键合时形成了非钉扎的界面。密度泛函理论用于证实实验结果。