Effects of atomic arrangements on structural stability and electronic structures of twin boundary interfaces in CaCO3 calcite

被引：0
|
作者：
Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan [1 ]
机构：
来源：
J. Phys. Chem. C | / 1卷 / 987-993期
关键词：
Compendex;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Calcite
引用
收藏
相关论文
共 50 条
  • [21] Surface reconstructions and relaxation effects in a centre-symmetrical crystal: the {00.1} form of calcite (CaCO3)
    Bruno, Marco
    Massaro, Francesco Roberto
    Prencipe, Mauro
    Aquilano, Dino
    [J]. CRYSTENGCOMM, 2010, 12 (11): : 3626 - 3633
  • [22] Elastic properties of heterodesmic composite structures: The case of calcite CaCO3 (space group R(3)over-barc)
    Ulian, Gianfranco
    Moro, Daniele
    Valdre, Giovanni
    [J]. COMPOSITES PART C: OPEN ACCESS, 2021, 6
  • [23] HIGH-PRESSURE STABILITY OF CARBONATES - QUENCHING OF CALCITE-II, HIGH-PRESSURE POLYMORPH OF CACO3
    BIELLMANN, C
    GUYOT, F
    GILLET, P
    REYNARD, B
    [J]. EUROPEAN JOURNAL OF MINERALOGY, 1993, 5 (03) : 503 - 510
  • [24] First-principles calculations of structural, electronic, and optical absorption properties of CaCO3 Vaterite
    Medeiros, S. K.
    Albuquerque, E. L.
    Maia, F. F., Jr.
    Caetano, E. W. S.
    Freire, V. N.
    [J]. CHEMICAL PHYSICS LETTERS, 2007, 435 (1-3) : 59 - 64
  • [25] Shock Recovery With Decaying Compressive Pulses: Shock Effects in Calcite (CaCO3) Around the Hugoniot Elastic Limit
    Kurosawa, Kosuke
    Ono, Haruka
    Niihara, Takafumi
    Sakaiya, Tatsuhiro
    Kondo, Tadashi
    Tomioka, Naotaka
    Mikouchi, Takashi
    Genda, Hidenori
    Matsuzaki, Takuya
    Kayama, Masahiro
    Koike, Mizuho
    Sano, Yuji
    Murayama, Masafumi
    Satake, Wataru
    Matsui, Takafumi
    [J]. JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS, 2022, 127 (06)
  • [26] Structural stability and electronic structures of (111) twin boundaries in the rock-salt MnS
    Xue, Y. B.
    Zhou, Y. T.
    Chen, D.
    Ma, X. L.
    [J]. JOURNAL OF ALLOYS AND COMPOUNDS, 2014, 582 : 181 - 185
  • [27] Structural stability and electronic structures of (111) twin boundaries in the rock-salt MnS
    [J]. Chen, D. (dchen@imr.ac.cn), 1600, Elsevier Ltd (582):
  • [28] Onset of Amorphous Structure in CaCO3: Geometric and Electronic Structures of (CaCO3)n (n = 2-7) Clusters by Ab Initio Calculations (vol 23, pg 203, 2012)
    Rosas-Garcia, Victor M.
    del Carmen Saenz-Tavera, Isabel
    Cantu-Morales, David E.
    [J]. JOURNAL OF CLUSTER SCIENCE, 2014, 25 (01) : 335 - 335
  • [29] THE ATOMIC AND ELECTRONIC-STRUCTURE OF THE SIGMA = 3 (211BAR) TWIN BOUNDARY IN SI
    KOHYAMA, M
    YAMAMOTO, R
    WATANABE, Y
    EBATA, Y
    KINOSHITA, M
    [J]. JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (20): : L695 - L700
  • [30] Benchmarking dispersion-corrected DFT methods for the evaluation of materials with anisotropic properties: structural, electronic, dielectric, optical and vibrational analysis of calcite (CaCO3, space group R3c)
    Ulian, Gianfranco
    Moro, Daniele
    Valdre, Giovanni
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 23 (34) : 18899 - 18907
12345