Ab initio calculations of the optical force constants for compounds with perovskite and rutile structures

被引：0
|
作者：
Kvyatkovskii, OE [1 ]
Shchegolev, BF [1 ]
机构：
[1] IV Grebenshchikov Silicate Chem Inst, St Petersburg, Russia
来源：
IZVESTIYA AKADEMII NAUK SERIYA FIZICHESKAYA | 2000年 / 64卷 / 06期
关键词：
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
引用
收藏
页码：1060 / 1064
页数：5
相关论文
共 50 条
  • [21] Oxalic Acid Adsorption on Rutile: Molecular Dynamics and ab Initio Calculations
    Biriukov, Denys
    Kroutil, Ondrej
    Kabelac, Martin
    Ridley, Moira K.
    Machesky, Michael L.
    Predota, Milan
    LANGMUIR, 2019, 35 (24) : 7617 - 7630
  • [22] Ab initio calculations of intrinsic defects in rutile TiO2
    He, J
    Sinnott, SB
    JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 2005, 88 (03) : 737 - 741
  • [23] Ab-initio calculations of temperature dependent electronic structures of inorganic halide perovskite materials
    Jocic, Milan
    Vukmirovic, Nenad
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 25 (42) : 29017 - 29031
  • [24] Review on DFT and ab initio calculations of scalar coupling constants
    Alkorta, I
    Elguero, J
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2003, 4 (03): : 64 - 92
  • [25] Ab initio calculations of Born charges in ferroelectrics with a perovskite structure
    O. E. Kvyatkovskiĭ
    Physics of the Solid State, 2009, 51 : 797 - 801
  • [26] Ab initio calculations of Born charges in ferroelectrics with a perovskite structure
    Kvyatkovskii, O. E.
    PHYSICS OF THE SOLID STATE, 2009, 51 (04) : 797 - 801
  • [27] Evaluation of nuclear quadrupole constants for compounds of the first row elements from ab initio calculations.
    Nantsis, EA
    Zandler, ME
    Carper, WR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 215 : U254 - U254
  • [28] Optical properties of anatase and rutile titanium dioxide:: Ab initio calculations for pure and anion-doped material
    Hossain, Faruque M.
    Sheppard, Leigh
    Nowotny, Janusz
    Murch, Graeme E.
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2008, 69 (07) : 1820 - 1828
  • [29] Analyses of the ab initio harmonic interatomic force constants of stishovite
    Lee, C
    PHYSICAL REVIEW B, 1996, 54 (13): : 8973 - 8976
  • [30] Ab initio calculations of Curie temperatures in GdX compounds
    Rusz, J
    Turek, I
    Divis, M
    JOURNAL OF ALLOYS AND COMPOUNDS, 2006, 408 : 930 - 933
12345