Atomic structure and relative stability of gallium and nitrogen interstitials in GaN[0001] grain boundaries

被引：1
|
作者：
Bere, A.
Belabbas, I.
Petit, S.
Nouet, G.
Ruterana, P.
Chen, J.
Koulidiati, J.
机构：
[1] ENSICAEN, CNRS, UMR 6176, SIFCOM, F-14050 Caen, France
[2] Univ Ouagadougou, LPCE, Ouagadougou 03, Burkina Faso
[3] IUT Alencon, LRPMN, F-61250 Damigny, France
来源：
PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE | 2006年 / 203卷 / 09期
关键词：
D O I：
10.1002/pssa.200566005
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The atomic and electronic structures of gallium and nitrogen interstitial created at the 8-interface of the (2330) Sigma= 19 (theta = 13.2 degrees) tilt grain boundary in GaN were investigated by density-functional based tight-binding calculations. We found that the structure of lowest energy of the Ga- or N-interstitial boundary is formed by a mixture of 6- and 5/7-atom rings (Ga-i- or N-i-interface) which is comparable to that of the 5/7-interface. The calculations show that the non stoichiometric Ga-i-interface is energetically more stable than the stoichiometric 5/7-interface, suggesting that both configurations may exist. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码：2176 / 2180
页数：5
相关论文
共 50 条
  • [31] Atomic and electronic structure of grain boundaries in crystalline organic semiconductors
    Mladenovic, Marko Lj
    Vukmirovic, Nenad
    Stankovic, Igor
    PHYSICA SCRIPTA, 2013, T157
  • [32] Self-diffusion at grain boundaries with a disordered atomic structure
    Perevezentsev, VN
    TECHNICAL PHYSICS, 2001, 46 (11) : 1481 - 1483
  • [33] DIFFRACTION STUDIES OF THE ATOMIC-STRUCTURE OF GRAIN-BOUNDARIES
    BUDAI, J
    SASS, SL
    JOURNAL OF METALS, 1982, 35 (12): : A46 - A46
  • [34] DIFFRACTION STUDIES OF THE ATOMIC-STRUCTURE OF GRAIN-BOUNDARIES
    BUDAI, J
    SASS, SL
    JOURNAL DE PHYSIQUE, 1982, 43 (NC-6): : 103 - 113
  • [35] Theoretical study of the atomic and electronic structure of grain boundaries in SiC
    Kohyama, M
    Tanaka, K
    POLYCRYSTALLINE SEMICONDUCTORS VII, PROCEEDINGS, 2003, 93 : 387 - 392
  • [36] Self-diffusion at grain boundaries with a disordered atomic structure
    V. N. Perevezentsev
    Technical Physics, 2001, 46 : 1481 - 1483
  • [37] Atomic and electron structure of diamond grain boundaries in a polycrystalline film
    Ichinose, H
    Nakanose, M
    Zhang, YG
    POLYCRYSTALLINE THIN FILMS - STRUCTURE, TEXTURE, PROPERTIES AND APPLICATIONS III, 1997, 472 : 93 - 98
  • [38] Structural stability and electronic structure of iron adsorption on the GaN(0001) surface
    Gonzalez-Hernandez, Rafael
    Lopez Perez, William
    Arbey Rodriguez M, Jairo
    APPLIED SURFACE SCIENCE, 2011, 257 (14) : 6016 - 6020
  • [39] The atomic structure of tilt grain boundaries in AlN/GaN layers grown on (0001) sapphire:: A case study, the Σ31 (11(4)over-bar(7)over-bar-0) symmetric grain boundary
    Potin, V
    Béré, A
    Ruterana, P
    Nouet, G
    INTERGRANULAR AND INTERPHASE BOUNDARIES IN MATERIALS, IIB98, 1999, 294-2 : 243 - 246
  • [40] Atomic structure of [0001]-tilt grain boundaries in ZnO: A high-resolution TEM study of fiber-textured thin films
    Oba, F
    Ohta, H
    Sato, Y
    Hosono, H
    Yamamoto, T
    Ikuhara, Y
    PHYSICAL REVIEW B, 2004, 70 (12) : 125415 - 1
12345