Ab initio calculations of the lattice dynamics of silver halides

被引：0
|
作者：
A. B. Gordienko
N. G. Kravchenko
A. N. Sedelnikov
机构：
[1] Kemerovo State University,
来源：
Russian Physics Journal | 2010年 / 53卷
关键词：
lattice dynamics; ab initio calculations; pseudopotentials; phonon spectra;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Based on ab initio pseudopotential calculations, the results of investigations of the lattice dynamics of silver halides AgHal (Hal = Cl, Br, I) are presented. Equilibrium lattice parameters, phonon spectra, frequency densities and effective atomic-charge values are obtained for all types of crystals under study.
引用
收藏
页码：692 / 697
页数：5
相关论文
共 50 条
  • [1] AB INITIO CALCULATIONS OF THE LATTICE DYNAMICS OF SILVER HALIDES
    Gordienko, A. B.
    Kravchenko, N. G.
    Sedelnikov, A. N.
    RUSSIAN PHYSICS JOURNAL, 2010, 53 (07) : 692 - 697
  • [2] TiC lattice dynamics from ab initio calculations
    P.T. Jochym
    K. Parlinski
    M. Sternik
    The European Physical Journal B - Condensed Matter and Complex Systems, 1999, 10 : 9 - 13
  • [3] AB-INITIO CALCULATIONS OF LATTICE-DYNAMICS
    SAVRASOV, SY
    MAKSIMOV, EG
    USPEKHI FIZICHESKIKH NAUK, 1995, 165 (07): : 773 - 797
  • [4] TiC lattice dynamics from ab initio calculations
    Jochym, PT
    Parlinski, K
    Sternik, M
    EUROPEAN PHYSICAL JOURNAL B, 1999, 10 (01): : 9 - 13
  • [5] Lattice dynamics and elasticity of silver thiogallate (AgGaS2) from ab initio calculations
    Lazewski, J
    Parlinski, K
    JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (15): : 6734 - 6738
  • [6] Lattice Dynamics of β-SnWO4: Experimental and Ab Initio Calculations
    Wojcik, Justyna
    Calvayrac, Florent
    Goutenoire, Francois
    Mhadhbi, Noureddine
    Corbel, Gwenael
    Lacorre, Philippe
    Bulou, Alain
    JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 117 (10): : 5301 - 5313
  • [7] Ab initio calculations of magnetic structure and lattice dynamics of Fe/Pt multilayers
    P. T. Jochym
    K. Parlinski
    A. M. Oleś
    The European Physical Journal B, 2008, 61 : 173 - 179
  • [8] Lattice dynamics of Ga1-xAlxAs studied by ab initio calculations
    Sternik, M
    Jochym, PT
    Parlinski, K
    COMPUTATIONAL MATERIALS SCIENCE, 1999, 13 (04) : 232 - 238
  • [9] Ab initio calculations of phonon dispersion and lattice dynamics in TlGaTe2
    Jafarova, Vusala
    Orudzhev, Guseyn
    Paucar, Raul
    Alekperov, Oktay
    Shim, YongGu
    Wakita, Kazuki
    Mamedov, Nazim
    Abdullayev, Nadir
    Najafov, Arzu
    PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 12, NO 6, 2015, 12 (06): : 664 - 667
  • [10] Ab initio calculations of magnetic structure and lattice dynamics in Fe/FeSi multilayers
    Jochym, PT
    Parlinski, K
    Oles, AM
    PHYSICAL REVIEW B, 2006, 73 (22):
12345