Prediction of high-mobility two-dimensional electron gas at KTaO3-based heterointerfaces

doi:10.1088/1674-1056/28/4/047101

中国物理B ›› 2019, Vol. 28 ›› Issue (4): 47101-047101.doi: 10.1088/1674-1056/28/4/047101

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Prediction of high-mobility two-dimensional electron gas at KTaO₃-based heterointerfaces

School of Physics, Shandong University, Jinan 250100, China

收稿日期:2018-12-27 修回日期:2019-02-13 出版日期:2019-04-05 发布日期:2019-04-05
通讯作者: Ji-Chao Li E-mail:lijichao@sdu.edu.cn
基金资助:
Project supported by the National Basic Research Program of China (Grant No. 2013CB632506) and the National Natural Science Foundation of China (Grant Nos. 11374186, 51231007, and 51202132).

Prediction of high-mobility two-dimensional electron gas at KTaO₃-based heterointerfaces

School of Physics, Shandong University, Jinan 250100, China

Received:2018-12-27 Revised:2019-02-13 Online:2019-04-05 Published:2019-04-05
Contact: Ji-Chao Li E-mail:lijichao@sdu.edu.cn
Supported by:
Project supported by the National Basic Research Program of China (Grant No. 2013CB632506) and the National Natural Science Foundation of China (Grant Nos. 11374186, 51231007, and 51202132).

摘要/Abstract

摘要：

First-principles calculations are performed to explore the possibility of generating the two-dimensional electron gas (2DEG) at the interface between LaGaO₃/KTaO₃ and NdGaO₃/KTaO₃ (001) heterostructures. Two different models – i.e., the superlattice model and the thin film model–are used to conduct a comprehensive investigation of the origin of charge carriers. For the symmetric superlattice model, the LaGaO₃ (or NdGaO₃) film is nonpolar. The 2DEG with carrier density on the order of 10¹⁴ cm^-2 originates from the Ta d_xy electrons contributed by both LaGaO₃ (or NdGaO₃) and KTaO₃. For the thin film model, large polar distortions occur in the LaGaO₃ and NdGaO₃ layer, which entirely screens the built-in electric field and prevents electrons from transferring to the interface. Electrons of KTaO₃ are accumulated at the interface, contributing to the formation of the 2DEG. All the heterostructures exhibit conducting properties regardless of the film thickness. Compared with the Ti d_xy electrons in SrTiO₃-based heterostructures, the Ta d_xy electrons have small effective mass and they are expected to move with higher mobility along the interface. These findings reveal the promising applications of 2DEG in novel nanoelectronic devices.

关键词: 2DEG, first-principles calculation, interface

Abstract:

Key words: 2DEG, first-principles calculation, interface

中图分类号: (Electron gas, Fermi gas)

71.10.Ca

63.20.dk (First-principles theory) 67.30.hp (Interfaces)

王芙凝, 李吉超, 李宜, 张鑫淼, 王学晋, 陈宇飞, 刘剑, 王春雷, 赵明磊, 梅良模. Prediction of high-mobility two-dimensional electron gas at KTaO₃-based heterointerfaces[J]. 中国物理B, 2019, 28(4): 47101-047101.

Fu-Ning Wang(王芙凝), Ji-Chao Li(李吉超), Yi Li(李宜), Xin-Miao Zhang(张鑫淼), Xue-Jin Wang(王学晋), Yu-Fei Chen(陈宇飞), Jian Liu(刘剑), Chun-Lei Wang(王春雷), Ming-Lei Zhao(赵明磊), Liang-Mo Mei(梅良模). Prediction of high-mobility two-dimensional electron gas at KTaO₃-based heterointerfaces[J]. Chin. Phys. B, 2019, 28(4): 47101-047101.

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Prediction of high-mobility two-dimensional electron gas at KTaO₃-based heterointerfaces

Prediction of high-mobility two-dimensional electron gas at KTaO₃-based heterointerfaces

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