Engineering the Interfacial Electronic: Structure of EpitaXial Gel/lAs(001) Heterointerfaces via Substitutional Boron Incorporation: The Roles of Doping and Interface Stoichiometry
Engineering the Interfacial Electronic: Structure of EpitaXial Gel/lAs(001) Heterointerfaces via Substitutional Boron Incorporation: The Roles of Doping and Interface Stoichiometry
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DOI：
10.1021/acsaelm.9b00615
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发表时间：
2019-12-01
影响因子：
4.7
通讯作者：
Hudait, Mantu K.
中科院分区：
文献类型：
--
作者：
Clavel, Michael B.;Greene-Diniz, Gabriel;Hudait, Mantu K.
提出了一个联合的实验和理论框架，硼（B）掺杂和化学计量诱导的修改锗（Ge）/AlAs（001）异质结构的结构特性和电子能带结构的去耦。通过X射线衍射和拉曼光谱分析定量了B诱导应力对最近邻Ge键的影响，并通过密度泛函微扰理论的透镜进行了解释。类似地，使用密度泛函理论方法来模拟异质界面化学计量和IV族和III V族界面原子之间的原子间键合对价带和导带不连续性的影响，可以理解p型Ge：B/AlAs异质界面处能带排列的实验确定。通过原子探针层析成像分析证实了Ge/AlAs异质界面处的两个单层原子间扩散模型，表明界面宽度为6 A。这些结果呈现了Ge：B/AlAs（001）材料系统的统一图像，突出了B对其结构和电子性质的影响，并提供了通过在上覆Ge外延层内掺入高浓度掺杂剂来设计这种异质界面的途径。
A joint experimental and theoretical framework for the decoupling of boron (B) doping and stoichiometric-induced modifications to the structural properties and electronic band structure of germanium (Ge)/AlAs(001) heterostructures is presented. The effect of B -induced stress on nearest -neighbor Ge bonds is quantified via X-ray diffractometry and Raman spectroscopic analysis and subsequently interpreted through the lens of density functional perturbation theory. Similarly, experimental determination of the energy band alignment at the p -type Ge:B/AIAs heterointerface is understood using a density functional theory approach to model the influence of heterointerface stoichiometry and interatomic bonding between group IV and III V interfacial atoms on the valence and conduction band discontinuities. The modeled two monolayer interatomic diffusion at the Ge/AlAs heterointerface is confirmed via atom probe tomography analysis, demonstrating a 6 A interfacial width. These results present a unified picture of the Ge:B/AlAs(001) material system, highlighting the influence of B on its structural and electronic properties, and provide a path for the engineering of such heterointerfaces through high concentration dopant incorporation within the overlying Ge epilayer.