Electronic structure of α-Al2O3: Ab initio simulations and comparison with experiment

被引：0
|
作者：
T. V. Perevalov
A. V. Shaposhnikov
V. A. Gritsenko
H. Wong
J. H. Han
C. W. Kim
机构：
[1] Russian Academy of Sciences,Institute of Semiconductor Physics, Siberian Division
[2] City University of Hong Kong,Electronic Engineering Department
[3] Samsung Electronics Co. Ltd.,Memory Division, Semiconductor Business
来源：
JETP Letters | 2007年 / 85卷
关键词：
71.20.Ps; 72.80.Sk; 75.15.Mb; 77.84.Bw;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Al2O3 films 150 Å thick are deposited on silicon by the ALD technique, and their x-ray (XPS) and ultraviolet (UPS) photoelectron spectra of the valence band are investigated. The electronic band structure of corundum (α-Al2O3) is calculated by the ab initio density functional method and compared with experimental results. The α-Al2O3 valence band consists of two subbands separated with an ionic gap. The lower band is mainly formed by oxygen 2s states. The upper band is formed by oxygen 2p states with a contribution of aluminum 3s and 3p states. A strong anisotropy of the effective mass is observed for holes: mh⊥* ≈ 6.3m0 and mh‖* ≈ 0.36m0. The effective electron mass is independent of the direction me‖* ≈ me⊥* ≈ 0.4m0.
引用
收藏
页码：165 / 168
页数：3
相关论文
共 50 条
  • [1] Electronic structure of α-Al2O3:: Ab initio simulations and comparison with experiment
    Perevalov, T. V.
    Shaposhnikov, A. V.
    Gritsenko, V. A.
    Wong, H.
    Han, J. H.
    Kim, C. W.
    JETP LETTERS, 2007, 85 (03) : 165 - 168
  • [2] Ab initio study of the effect of Si on the phase stability and electronic structure of γ- and α-Al2O3
    Nahif, F.
    Music, D.
    Mraz, S.
    Baben, M. To
    Schneider, J. M.
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2013, 25 (12)
  • [3] Electronic and optical properties of γ-Al2O3 from ab initio theory
    Ahuja, R
    Osorio-Guillen, JM
    de Almeida, JS
    Holm, B
    Ching, WY
    Johansson, B
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (16) : 2891 - 2900
  • [4] Electronic structure of TiO2 rutile with oxygen vacancies: Ab initio simulations and comparison with the experiment
    T. V. Perevalov
    V. A. Gritsenko
    Journal of Experimental and Theoretical Physics, 2011, 112
  • [5] Electronic structure of TiO2 rutile with oxygen vacancies: Ab initio simulations and comparison with the experiment
    Perevalov, T. V.
    Gritsenko, V. A.
    JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 2011, 112 (02) : 310 - 316
  • [6] Electronic structure of aluminum oxide: ab initio simulations of α and γ phases and comparison with experiment for amorphous films
    Perevalov, T. V.
    Gritsenko, V. A.
    Kaichev, V. V.
    EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS, 2010, 52 (03):
  • [7] Electronic and optical properties of Θ-Al2O3 and comparison to α-Al2O3
    Mo, SD
    Ching, WY
    PHYSICAL REVIEW B, 1998, 57 (24) : 15219 - 15228
  • [8] Ab initio calculations on the Al2O3(0001) surface
    Batyrev, I
    Alavi, A
    Finnis, MW
    FARADAY DISCUSSIONS, 1999, 114 : 33 - 43
  • [9] Electronic structure of δ-Ta2O5 with oxygen vacancy: ab initio calculations and comparison with experiment
    Ivanov, Maxim V.
    Perevalov, Timofey V.
    Aliev, Vladimir S.
    Gritsenko, Vladimir A.
    Kaichev, Vasily V.
    JOURNAL OF APPLIED PHYSICS, 2011, 110 (02)
  • [10] Ab initio simulation of the electronic structure of δ-Ta2O5 with oxygen vacancy and comparison with experiment
    Ivanov, M. V.
    Perevalov, T. V.
    Aliev, V. Sh.
    Gritsenko, V. A.
    Kaichev, V. V.
    JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 2011, 112 (06) : 1035 - 1041
12345