Bi2O2Se:Bi2O5Se High‐K Stack as a 2D Analog of Si:SiO2: A First‐Principles Study,Physica Status Solidi-Rapid Research Letters

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Bi2O2Se:Bi2O5Se High‐K Stack as a 2D Analog of Si:SiO2: A First‐Principles Study
Physica Status Solidi-Rapid Research Letters ( IF 2.5 ) Pub Date : 2020-11-20 , DOI: 10.1002/pssr.202000465
Jingyi Zhang ₁ , Huanglong Li _{1,

2}

Affiliation

"The interface is the device," a famous phrase coined by Nobel laureate Herbert Kroemer, has highlighted the importance of materials interfaces for the functionalities and performance of electronic devices. Semiconductor:dielectric interfaces play central roles in transistors: one of the main reasons of the success of silicon technology and the bottlenecks of many proposed alternatives, among which are the 2D transistors. Major 2D semiconductors, such as MoS₂, WSe₂, HfSe₂, and ZrSe₂, have not yet given rise to workable devices based on native high‐K stacks by thermal oxidation which is highly technologically desired. Recently, this feasibility has been demonstrated in Bi₂O₂Se, an emerging layered 2D material, with its native high‐K oxide, Bi₂O₅Se. Understanding the atomic‐scale properties of the Bi₂O₂Se:Bi₂O₅Se interface is crucial for the developmental applications of this emerging 2D analogue of Si:SiO₂. Herein, the atomic structures and band alignment properties of various Bi₂O₂Se:Bi₂O₅Se interfaces with different configurations of the interfacial anion layers are comprehensively studied. The correlation between band offset and interfacial atom intermixing is observed and rationalized. The interfacial anion vacancies are also investigated and it is found that oxygen vacancies are detrimental.

中文翻译：

Bi2O2Se：Bi2O5Se High-K Stack作为Si：SiO2的二维模拟：首要原理研究

诺贝尔奖获得者赫伯特·克鲁默（Herbert Kroemer）创造了一个著名的短语，即“接口就是设备”，强调了材料接口对于电子设备的功能和性能的重要性。半导体：介电接口在晶体管中起着核心作用：硅技术成功的主要原因之一，也是许多提议的替代品的瓶颈，其中包括2D晶体管。诸如MoS ₂，WSe ₂，HfSe ₂和ZrSe _2之类的主要2D半导体尚未出现基于热氧化技术的基于天然高K堆栈的可行器件，这在技术上是非常需要的。最近，在Bi ₂ O _2中已经证明了这种可行性。Se，一种新兴的层状2D材料，其天然高K氧化物Bi ₂ O ₅ Se。了解Bi ₂ O ₂ Se：Bi ₂ O ₅ Se界面的原子尺度特性对于这种新兴的Si：SiO ₂二维类似物的开发应用至关重要。在此，各种Bi ₂ O ₂ Se：Bi ₂ O ₅的原子结构和能带取向性全面研究了具有不同构型的界面阴离子层的Se界面。观察并合理化了带偏移与界面原子混合之间的相关性。还研究了界面阴离子空位，发现氧空位是有害的。

更新日期：2021-01-13

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