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高达20吉帕斯卡压力下NiVO和CoVO的高压振动及结构特性

High-Pressure Vibrational and Structural Properties of NiVO and CoVO up to 20 GPa.

作者信息

Sánchez-Martín Josu, Pellicer-Porres Julio, Liang Akun, Ibáñez Jordi, Oliva Robert, Popescu Catalin, He Zhangzhen, Rodríguez-Hernández Plácida, Muñoz Alfonso, Errandonea Daniel

机构信息

Departamento de Física Aplicada-ICMUV, MALTA-Consolider Team, Universidad de Valencia, Dr. Moliner 50, Burjassot, Valencia 46100, Spain.

CSEC, The University of Edinburgh, UoE, School of Physics and Astronomy, Edinburgh EH9 3FD, United Kingdom.

出版信息

J Phys Chem C Nanomater Interfaces. 2023 Oct 30;127(44):21684-21694. doi: 10.1021/acs.jpcc.3c04019. eCollection 2023 Nov 9.

DOI:10.1021/acs.jpcc.3c04019
PMID:38344684
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10851775/
Abstract

The vibrational and structural behaviors of NiVO and CoVO 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 Kagomé staircase structure (space group: ) 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 CoVO, 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.

摘要

通过X射线衍射、拉曼光谱和理论模拟，对镍钒酸盐（NiVO）和钴钒酸盐（CoVO）原钒酸盐的振动和结构行为进行了研究，压力范围高达约20吉帕。在环境条件下，这两种材料均结晶为正交 Kagomé 阶梯结构（空间群： ），并且在整个压力范围内未发现相变。为了确定高压下检测到的拉曼活性模式的对称性，这些材料的单晶样品被用于偏振拉曼和红外装置中。此外，对CoVO进行了高压粉末X射线衍射测量，结果证实了通过其他诊断技术也获得的结构稳定性。通过该XRD分析，计算了所有轴的各向异性压缩率，并通过Birch-Murnaghan状态方程拟合了晶胞体积与压力的关系，得到体模量为122吉帕。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ef18/10851775/e9085454c64c/jp3c04019_0011.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ef18/10851775/28856037964a/jp3c04019_0006.jpg
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