Formation of heterovalent interfaces: A combined photoemission and ab initio DFT study of GaP/Si heterostructures

异价界面的形成：GaP/Si 异质结构的光电发射和从头算 DFT 组合研究

基本信息

批准号：
391502515
负责人：
Professor Dr. Thomas Hannappel
金额：
--
依托单位：
Fyzikální ústav AV ČR
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2018
资助国家：
德国
起止时间：
2017-12-31 至 2021-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/391502515?language=en
关键词：
Formation heterovalent interfaces combined photoemission

项目摘要

Integration of III-V semiconductors on silicon is desirable for a new generation of microelectronic power devices, high-efficiency multi-junction solar cells and photolytic tandem absorbers for the renewable generation of hydrogen. GaP/Si(001) is the ideal candidate for a pseudomorphic virtual substrate, a generic element for high-efficiency optoelectronic device structures. The goal is to overcome the today limiting challenges, which are related to polar-on-nonpolar heteroepitaxy, prior further III-V integration in order to grow low-defect active material. The preparation of sharp GaP/Si(001) interfaces thereby is the critical technological step in metalorganic chemical vapor deposition (MOCVD), because it strongly impacts the quality of subsequently grown epitaxial films and the final device performance. Preliminary work showed that the additional group-V element arsenic plays a decisive role for tuning the interfacial structure. Today, interface formation mechanisms are not well understood at the atomic scale and the electronic structure of these buried interfaces has not yet been resolved. Recently, there has been much progress to reduce defect formation considerably at buried GaP/Si(001) heterointerfaces. Therefore, this interface is not only significant as generic element for optoelectronic application, but also as model structure, which is the key to enable comparative experimental and ab initio studies of the interface electronic structure. In this bilateral project, we will join our complementary expertise in industrially scalable, state-of-the-art epitaxial growth by MOCVD, in advanced interface analysis and in ab initio theory to provide all essential elements for a comprehensive heterointerface study. Thereby, we aim to resolve a historic open question in polar-on-nonpolar heteroepitaxy: How can interfaces form as sharp as possible, while compensating interface charges in order to get well-defined electronic properties across the interface? We will apply a unique methodology combining preparation, optical in situ spectroscopy, lab-based as well as synchrotron-based photoelectron spectroscopy techniques, depth profiling and ab initio density functional theory calculations in order to establish a conclusive atomic-scale understanding of the structural and electronic properties of GaP/Si(001) and GaP/Si(001):As heterointerfaces. The structure of the interface will be studied both with bottom-up, top-down and in situ approaches. We will introduce dedicated modifications of the atomic structure in order to understand how the electronic properties of the heterointerface can be tuned and how this can be controlled in situ. The objective of this project is to gain a fundamental understanding of III-V/IV heterointerface formation on the atomic scale with direct implications for high-performance device applications.

将 III-V 族半导体集成在硅上对于新一代微电子功率器件、高效多结太阳能电池和用于可再生氢生产的光解串联吸收器来说是理想的选择。 GaP/Si(001) 是假晶虚拟衬底的理想候选者，假晶虚拟衬底是高效光电器件结构的通用元件。我们的目标是克服当今与极性对非极性异质外延相关的限制性挑战，在进一步的 III-V 族集成之前，以生长低缺陷活性材料。因此，尖锐的GaP/Si(001)界面的制备是金属有机化学气相沉积(MOCVD)中的关键技术步骤，因为它强烈影响随后生长的外延薄膜的质量和最终器件的性能。初步工作表明，额外的V族元素砷对于调节界面结构起着决定性作用。如今，界面形成机制在原子尺度上尚未得到很好的理解，并且这些掩埋界面的电子结构尚未得到解决。最近，在显着减少埋入式 GaP/Si(001) 异质界面处的缺陷形成方面取得了很大进展。因此，该界面不仅作为光电应用的通用元件具有重要意义，而且作为模型结构，是实现界面电子结构的比较实验和从头开始研究的关键。在这个双边项目中，我们将结合我们在工业可扩展、最先进的 MOCVD 外延生长、先进界面分析和从头理论方面的互补专业知识，为全面的异质界面研究提供所有基本要素。因此，我们的目标是解决极性对非极性异质外延中的一个历史性悬而未决的问题：如何使界面形成尽可能尖锐，同时补偿界面电荷以便在界面上获得明确的电子特性？我们将应用一种独特的方法，结合制备、光学原位光谱、基于实验室和同步加速器的光电子能谱技术、深度分析和从头算密度泛函理论计算，以便对结构和结构建立结论性的原子尺度理解。 GaP/Si(001) 和 GaP/Si(001):As 异质界面的电子性质。界面结构将通过自下而上、自上而下和原位方法进行研究。我们将介绍原子结构的专门修改，以了解如何调整异质界面的电子特性以及如何原位控制。该项目的目标是获得对原子尺度上 III-V/IV 异质界面形成的基本了解，这对高性能器件应用具有直接影响。

项目成果

期刊论文数量（6）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Metalorganic vapor phase epitaxy of III–V-on-silicon: Experiment and theory

硅上 III-V 族金属有机气相外延：实验与理论

DOI：
10.1016/j.pcrysgrow.2018.07.002
发表时间：
2018-12-01
期刊：
Progress in Crystal Growth and Characterization of Materials
影响因子：
5.1
作者：
O. Supplie;O. Romanyuk;C. Koppka;M. Steidl;A. Nägelein;A. Paszuk;Lars Winterfeld;A. Dobrich;P. Kleinschmidt;E. Runge;T. Hannappel
通讯作者：
T. Hannappel

Atomic surface structure of MOVPE-prepared GaP(1 1 1)B

MOVPE制备的GaP(1 1 1)B的原子表面结构

DOI：
10.1016/j.apsusc.2020.147346
发表时间：
2020
期刊：
Applied Surface Science
影响因子：
6.7
作者：
P. Kleinschmidt; et al.
通讯作者：
et al.

A Route to Obtaining Low-Defect III–V Epilayers on Si(100) Utilizing MOCVD

利用 MOCVD 在 Si(100) 上获得低缺陷 IIIâV 外延层的途径

DOI：
10.1021/acs.cgd.1c00410
发表时间：
2021
期刊：
Crystal Growth & Design
影响因子：
3.8
作者：
M. N;y; et al.
通讯作者：
et al.

GaP/Si(0 0 1) interface study by XPS in combination with Ar gas cluster ion beam sputtering

XPS结合Ar气团簇离子束溅射研究GaP/Si(0×0×1)界面

DOI：
10.1016/j.apsusc.2020.145903
发表时间：
2020-06-01
期刊：
Applied Surface Science
影响因子：
6.7
作者：
O. Romanyuk;I. Gordeev;A. Paszuk;O. Supplie;J. P. Stoeckmann;J. Houdková;E. Ukraintsev;I. Bartoš;P. Jiříček;T. Hannappel
通讯作者：
T. Hannappel

Hard X‐ray photoelectron spectroscopy study of core level shifts at buried GaP/Si(001) interfaces

埋藏 GaP/Si(001) 界面处核心能级位移的硬 Xâ 射线光电子能谱研究