High pressure phase transitions in scheelite structured fluoride: ErLiF4

被引:7
|
作者
Garg, Nandini [1 ]
Mishra, A. K. [1 ]
Poswal, H. K. [1 ]
Tyagi, A. K. [2 ]
Sharma, Surinder M. [1 ]
机构
[1] High Pressure & Synchrotron Radiat Phys Div, Bombay, Maharashtra, India
[2] Bhabha Atom Res Ctr, Div Chem, Bombay 400085, Maharashtra, India
关键词
Scheelite structure; X-ray diffraction; High pressure; First principles calculations; ALKALINE-EARTH TUNGSTATES; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; X-RAY; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURES; BASIS-SET; RAMAN; CAWO4; YLIF4;
D O I
10.1016/j.jssc.2015.04.038
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Our synchrotron based angle dispersive x-ray diffraction studies on scheelite structured ErLiF4 show that it undergoes two phase transitions, at similar to 11.5 and similar to 15.5 GPa to lower symmetry monoclinic phases, before becoming (irreversibly) amorphous at similar to 28 GPa. The first high pressure phase transformation to the fergusonite structure (space group I2/a) is found to be of thermodynamically second order. The second high pressure phase could be fitted to the P2/c space group, but detailed analysis rules out the wolframite structure (P2/c space group), common to many scheelite compounds under high pressures. We also suggest that despite the ionic character of the LiF4 tetrahedra, the compressibility of LnLiF(4) (Ln=Eu-Lu) kind of scheelites is more affected by the LnF(8) dodecahedra than the LiF4 tetrahedra. (C) 2015 Elsevier Inc. All rights reserved.
引用
收藏
页码:164 / 172
页数:9
相关论文
共 50 条
  • [1] High pressure phase transitions in BaWO4
    Panchal, V
    Garg, N
    Chauhan, AK
    Sangeeta, B
    Sharma, SM
    SOLID STATE COMMUNICATIONS, 2004, 130 (3-4) : 203 - 208
  • [2] High Pressure phase transitions in NdVO4
    Panchal, V.
    Errandonea, D.
    Manjon, F. J.
    Munoz, A.
    Rodriguez-Hernandez, P.
    Bettinelli, M.
    Achary, S. N.
    Tyagi, A. K.
    PROCEEDINGS OF THE 59TH DAE SOLID STATE PHYSICS SYMPOSIUM 2014 (SOLID STATE PHYSICS), 2015, 1665
  • [3] High-pressure structural phase transitions and intermediate phases of magnesium fluoride
    Ozturk, Hulya
    Kurkcu, Cemile
    Kurkcu, Cihan
    JOURNAL OF ALLOYS AND COMPOUNDS, 2014, 597 : 155 - 160
  • [4] Comparison of the phase transitions of high-pressure phases of ammonium fluoride and ice at ambient pressure
    Sharif, Zainab
    Salzmann, Christoph G.
    JOURNAL OF CHEMICAL PHYSICS, 2022, 156 (01):
  • [5] High-pressure Raman scattering study on zircon- to scheelite-type structural phase transitions of RCrO4
    Long, Y. W.
    Yang, L. X.
    Yu, Y.
    Li, F. Y.
    Lu, Y. X.
    Yu, R. C.
    Liu, Y. L.
    Jin, C. Q.
    JOURNAL OF APPLIED PHYSICS, 2008, 103 (09)
  • [6] High pressure study of phase transitions inα-FePO4
    Chitra Murli
    Surinder M Sharma
    S K Kulshreshtha
    S K Sikka
    Pramana, 1997, 49 : 285 - 291
  • [7] Phase transitions and amorphization of CaWO4 at high pressure
    Errandonea, D
    Somayazulu, M
    Häusermann, D
    PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 2003, 235 (01): : 162 - 169
  • [8] Phase Transitions of BiVO4 under High Pressure and High Temperature
    Sanchez-Martin, Josu
    Errandonea, Daniel
    Pellicer-Porres, Julio
    Vazquez-Socorro, David
    Martinez-Garcia, Domingo
    Achary, S. Nagabhusan
    Popescu, Catalin
    JOURNAL OF PHYSICAL CHEMISTRY C, 2022, 126 (17): : 7755 - 7763
  • [9] High pressure and high temperature study the phase transitions of BiNbO4
    Xu, Chao
    He, Duanwei
    Liu, Chunmei
    Wang, Haikuo
    Zhang, Lili
    Wang, Pei
    Yin, Shuai
    SOLID STATE COMMUNICATIONS, 2013, 156 : 21 - 24
  • [10] Pressure-induced zircon-type to scheelite-type phase transitions in YbPO4 and LuPO4
    Zhang, F. X.
    Lang, M.
    Ewing, R. C.
    Lian, J.
    Wang, Z. W.
    Hu, J.
    Boatner, L. A.
    JOURNAL OF SOLID STATE CHEMISTRY, 2008, 181 (10) : 2633 - 2638