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Electronic states of site-controlled impurity layrs at semiconductor interfaces and its applications to control of band discontinuities

半导体界面位点控制杂质层的电子态及其在控制能带不连续性中的应用

基本信息

批准号：
05650023
负责人：
SAITO Toshio
金额：
$ 1.41万
依托单位：
Institute of Industrial Science, University of Tokyo.
依托单位国家：
日本
项目类别：
Grant-in-Aid for General Scientific Research (C)
财政年份：
1993
资助国家：
日本
起止时间：
1993 至 1994
项目状态：
已结题

项目摘要

1. To predict band discontinuities at hetero-interfaces theoretically, we constructed a program for the self-consistent tight-binding method with the sp^3s^* basis. In this method, the atomic orbital energies are modified with the induced electrostatic potentials calculated from the electronic charges at interfaces.2. Using this program, we calculated valence-band discontinuities, DELTAE_v, at the GaAs/AlAs interfaces. The calculation gives DELTAE_v=0.51 eV at the (100) and (110) interfaces, and DELTAE_v=0.50 eV at the (311) A interface. DELTAE_v at the GaAs/AlAs interface is almost constant for various interface orientations, even for the high-index interfaces.3. DELTAE_v at the GaAs/Si (2ML) /AlAs interface is calculated to be ; DELTAE_v=-1.36 eV [ (100)-As interface] , 2.1 eV [ (100)-Ga interface] , 0.35 eV [ (110) interface] , -0.12 eV [ (311) A-As interface] , and 1.67 eV [ (311) A-Ga interface] . DELTAE_v is determined by the Si-induced interface dipole and depends strongly on the interface orientations.4. DELTAE_v at the (100) GaAs/InAs (1ML) /AlAs interface is calculated to be 0.50 eV,which is practically equal to DELTAE_v=0.51 eV at the GaAs/AlAs interface with no insertion-layrs. The insertion of the strained InAs monolayr changes the detail of valence charge density at the GaAs/AlAs interface but does not change DELTAE_v. The result of calculation is consistent with our experimental measurement for the MBE-grown samples.

1.为了从理论上预测异质界面处的能带不连续性，我们编制了一个sp^3s^* 基的自洽紧束缚方法程序。在该方法中，原子轨道能量由界面电荷计算的感应静电势修正.利用这个程序，我们计算了GaAs/AlAs界面处的价带不连续性Δ E_v。计算给出在（100）和（110）界面处的Δ E_v=0.51 eV，以及在（311）A界面处的Δ E_v=0.50 eV。GaAs/AlAs界面的Δ E_v对于不同的界面取向几乎是恒定的，即使对于高折射率界面也是如此. GaAs/Si（2 ML）/AlAs界面处的Δ E_v计算为：Δ E_v=-1.36eV [（100）-As界面]、2.1eV [（100）-Ga界面]、0.35eV [（110）界面]、-0.12eV [（311）A-As界面]和1.67eV [（311）A-Ga界面]。Δ E_v由Si诱导的界面偶极子决定，并强烈依赖于界面取向.计算出（100）GaAs/InAs（1 ML）/AlAs界面处的Δ E_v为0.50 eV，这实际上等于没有插入层的GaAs/AlAs界面处的Δ E_v=0.51 eV。应变InAs单层膜的插入改变了GaAs/AlAs界面价电荷密度的细节，但不改变Δ Ev。计算结果与我们对MBE生长样品的实验测量结果一致。