Revised ab initio natural band offsets of all group IV, II-VI, and III-V semiconductors

被引：192

作者：

Li, Yong-Hua ^{[1
]}

Walsh, Aron ^{[2
]}

Chen, Shiyou ^{[1
]}

Yin, Wan-Jian ^{[1
]}

Yang, Ji-Hui ^{[1
]}

Li, Jingbo ^{[3
]}

Da Silva, Juarez L. F. ^{[2
]}

Gong, X. G. ^{[1
]}

Wei, Su-Huai ^{[2
]}

机构：

[1] Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China

[2] Natl Renewable Energy Lab, Golden, CO 80401 USA

[3] Chinese Acad Sci, Inst Semicond, Beijing 100083, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2009年 / 94卷 / 21期

基金：

美国国家科学基金会;

关键词：

ab initio calculations; band structure; cadmium compounds; III-V semiconductors; II-VI semiconductors; IV-VI semiconductors; zinc compounds; D-ORBITALS; CONDUCTION; ENERGY; RULE;

D O I：

10.1063/1.3143626

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Using an all-electron band structure approach, we have systematically calculated the natural band offsets between all group IV, III-V, and II-VI semiconductor compounds, taking into account the deformation potential of the core states. This revised approach removes assumptions regarding the reference level volume deformation and offers a more reliable prediction of the "natural" unstrained offsets. Comparison is made to experimental work, where a noticeable improvement is found compared to previous methodologies.

引用

页数：3

共 50 条

[41] Pressure dependence of energy gap of III-V and II-VI ternary semiconductors
Chen, Dongguo
Ravindra, N. M.
JOURNAL OF MATERIALS SCIENCE, 2012, 47 (15) : 5735 - 5742
[42] STRUCTURAL-PROPERTIES OF INTERFACES BETWEEN II-VI AND III-V SEMICONDUCTORS
FEUILLET, G
CIBERT, J
GOBIL, Y
JOUNEAU, PH
TATARENKO, S
SAMINADAYAR, K
CHAMI, AC
LIGEON, E
PHYSICA SCRIPTA, 1991, T35 : 268 - 272
[43] Electronic structure of superlattices of II-VI/III-V diluted magnetic semiconductors
Kamatani, T
Akai, H
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 2001, 10 (1-3): : 157 - 160
[44] Electronic structure of superlattices of II-VI/III-V diluted magnetic semiconductors
Kamatani, T
Akai, H
PROCEEDINGS OF THE 25TH INTERNATIONAL CONFERENCE ON THE PHYSICS OF SEMICONDUCTORS, PTS I AND II, 2001, 87 : 248 - 249
[45] The interaction of II-VI, III-VI and IV-VI group semiconductors with metals
Tomashik, VN
Grytsiv, VI
Tomashik, ZF
Seritsan, OV
MATERIAL SCIENCE AND MATERIAL PROPERTIES FOR INFRARED OPTOELECTRONICS, 1997, 3182 : 400 - 403
[46] DENSITIES OF VALENCE STATES OF AMORPHOUS AND CRYSTALLINE III-V AND II-VI SEMICONDUCTORS
SHEVCHIK, NJ
TEJEDA, J
CARDONA, M
PHYSICAL REVIEW B, 1974, 9 (06): : 2627 - 2648
[47] THOMAS-FERMI DIELECTRIC SCREENING IN III-V AND II-VI SEMICONDUCTORS
GRINBERG, M
LEGOWSKI, S
MECZYNSKA, H
ACTA PHYSICA POLONICA A, 1981, 60 (06) : 847 - 855
[48] LOCAL-STRUCTURE AND THERMODYNAMICS OF II-VI AND III-V SEMICONDUCTORS BY EXAFS
MOTTA, N
BALZAROTTI, A
LETARDI, P
JOURNAL DE PHYSIQUE, 1986, 47 (C-8): : 403 - 406
[49] Ab initio studies of the band parameters of III–V and II–VI zinc-blende semiconductors
S. Zh. Karazhanov
L. C. Lew Yan Voon
Semiconductors, 2005, 39 : 161 - 173
[50] Luminescence of II-VI and III-V nanostructures
Mynbaev, K. D.
Shilyaev, A. V.
Semakova, A. A.
Bykhanova, E. V.
Bazhenov, N. L.
OPTO-ELECTRONICS REVIEW, 2017, 25 (03) : 209 - 214

← 1 2 3 4 5 →