High-Pressure Vibrational and Structural Properties of Ni3V2O8 and Co3V2O8 up to 20 GPa

被引：3
作者：
Sanchez-Martin, Josu [1 ]
Pellicer-Porres, Julio [1 ]
Liang, Akun [1 ,2 ]
Ibanez, Jordi [3 ]
Oliva, Robert [3 ]
Popescu, Catalin [4 ]
He, Zhangzhen [5 ]
Rodriguez-Hernandez, Placida [6 ]
Munoz, Alfonso [6 ]
Errandonea, Daniel [1 ]
机构：
[1] Univ Valencia, Dept Fis Aplicada, MALTA Consolider Team, ICMUV, Valencia 46100, Spain
[2] Univ Edinburgh, Sch Phys & Astron, CSEC, UoE, Edinburgh EH9 3FD, Scotland
[3] CSIC, Geosci Barcelona GEO3BCN, MALTA Consolider Team, Barcelona 08028, Spain
[4] MALTA Consolider Team, CELLS ALBA Synchrotron Light Facil, Barcelona 08290, Spain
[5] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China
[6] Univ La Laguna, Dept Fis, MALTA Consolider Team, Inst Mat & Nanotecnol, E-38200 Tenerife, Spain
来源：
JOURNAL OF PHYSICAL CHEMISTRY C | 2023年 / 127卷 / 44期
关键词：
KAGOME STAIRCASE COMPOUND; TOTAL-ENERGY CALCULATIONS; X-RAY-DIFFRACTION; EQUATION-OF-STATE; CRYSTAL-STRUCTURES; HIGH-PERFORMANCE; M3V2O8; M; NI; NANOSTRUCTURES; REFINEMENT;
D O I：
10.1021/acs.jpcc.3c04019
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The vibrational and structural behaviors of Ni3V2O8 and Co3V2O8 orthovanadates have been studied up to around 20 GPa by means of X-ray diffraction, Raman spectra, and theoretical simulations. Both materials crystallize in an orthorhombic Kagome staircase structure (space group: Cmca) at ambient conditions, and no phase transition was found in the whole pressure range. In order to identify the symmetry of the detected Raman-active modes under high pressure, single crystal samples of those materials were used in a polarized Raman and infrared setup. Moreover, high-pressure powder X-ray diffraction measurements were performed for Co3V2O8, and the results confirmed the structure stability also obtained by other diagnostic techniques. From this XRD analysis, the anisotropic compressibilities of all axes were calculated and the unit-cell volume vs pressure was fitted by a Birch-Murnaghan equation of state, obtaining a bulk modulus of 122 GPa.
引用
收藏
页码：21684 / 21694
页数：11
相关论文
共 57 条
  • [31] Symmetries of modes in Ni3V2O8: Polarized Raman spectroscopy and ab initio phonon calculations
    Kesari, Swayam
    Rao, Rekha
    Gupta, Mayanak K.
    Mittal, R.
    Balakrishnan, Geetha
    [J]. JOURNAL OF RAMAN SPECTROSCOPY, 2019, 50 (04) : 587 - 594
  • [32] Hydrostatic limits of 11 pressure transmitting media
    Klotz, S.
    Chervin, J-C
    Munsch, P.
    Le Marchand, G.
    [J]. JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2009, 42 (07)
  • [33] Magnetic and thermal properties of Co3V2O8 and Ni3V2O8
    Kobayashi, Yusuke
    Yasui, Yukio
    Sato, Masatoshi
    [J]. JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2007, 310 (02) : 1160 - 1161
  • [34] Electronic and elastic properties of the multiferroic crystals with the Kagome type lattices -Mn3V2O8 and Ni3V2O8: First principle calculations
    Koc, Husnu
    Palaz, Selami
    Mamedov, Amirullah M.
    Ozbay, Ekmel
    [J]. FERROELECTRICS, 2019, 544 (01) : 11 - 19
  • [35] POWDER CELL - A program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns
    Kraus, W
    Nolze, G
    [J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1996, 29 : 301 - 303
  • [36] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
    Kresse, G
    Furthmuller, J
    [J]. PHYSICAL REVIEW B, 1996, 54 (16): : 11169 - 11186
  • [37] REFINEMENT OF STRUCTURE OF MG3(VO4)2
    KRISHNAMACHARI, N
    CALVO, C
    [J]. CANADIAN JOURNAL OF CHEMISTRY-BACK YEAR, 1971, 49 (10): : 1629 - +
  • [38] Bilbao crystallographic server: Useful databases and tools for phase-transition studies
    Kroumova, E
    Aroyo, MI
    Perez-Mato, JM
    Kirov, A
    Capillas, C
    Ivantchev, S
    Wondratschek, H
    [J]. PHASE TRANSITIONS, 2003, 76 (1-2) : 155 - 170
  • [39] Highly Sensitive Non-Enzymatic Glucose Detection Using 3-D Ni3(VO4)2 Nanosheet Arrays Directly Grown on Ni Foam
    Kumar, Rudra
    Bhuvana, Thiruvelu
    Rai, Prabhakar
    Sharma, Ashutosh
    [J]. JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2018, 165 (02) : B1 - B8
  • [40] Competing magnetic phases on a kagome staircase
    Lawes, G
    Kenzelmann, M
    Rogado, N
    Kim, KH
    Jorge, GA
    Cava, RJ
    Aharony, A
    Entin-Wohlman, O
    Harris, AB
    Yildirim, T
    Huang, QZ
    Park, S
    Broholm, C
    Ramirez, AP
    [J]. PHYSICAL REVIEW LETTERS, 2004, 93 (24)
123456