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

页码：21684 / 21694

页数：11

共 57 条

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