在兆巴压缩条件下高压合成碳化铼 Re3C

IF 1.2 4区地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY Physics and Chemistry of Minerals Pub Date : 2024-10-26 DOI:10.1007/s00269-024-01300-w

Yuqing Yin, Leonid Dubrovinsky, Andrey Aslandukov, Alena Aslandukova, Timofey Fedotenko, Konstantin Glazyrin, Gaston Garbarino, Igor A. Abrikosov, Natalia Dubrovinskaia

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引用次数: 0

摘要

据预测，碳化铼 Re3C 在高压下是稳定的，并且具有高硬度和低可压缩性。在本研究中，我们实现了在 105(3) 和 140(5) GPa 的兆帕压力下，在激光加热的金刚石砧单元中合成 Re3C，并利用同步辐射单晶 X 射线衍射对其结构进行了表征。Re3C 的结构具有单斜空间群 C2/m，由 CRe7 冠八面体构成。我们的综合 ab initio 计算和定量拓扑分析为实验结构数据提供了支持，并进一步加深了对新合成化合物化学键的理解。

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High-pressure synthesis of rhenium carbide Re3C under megabar compression

The rhenium carbide Re₃C was predicted to be stable under high pressure and expected to have high hardness and low compressibility. In this study, we realise the synthesis of Re₃C at megabar pressures of 105(3) and 140(5) GPa in laser-heated diamond anvil cells and characterise its structure using synchrotron single-crystal X-ray diffraction. The structure of Re₃C has the monoclinic space group C2/m and is built of CRe₇ capped octahedra. Our combined ab initio calculations and quantitative topological analysis support experimental structural data and further deepen the understanding of the chemical bonding in the newly synthesized compound.

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来源期刊

Physics and Chemistry of Minerals 地学-材料科学：综合

CiteScore

2.90

自引率

14.30%

发文量

审稿时长

3 months

期刊介绍： Physics and Chemistry of Minerals is an international journal devoted to publishing articles and short communications of physical or chemical studies on minerals or solids related to minerals. The aim of the journal is to support competent interdisciplinary work in mineralogy and physics or chemistry. Particular emphasis is placed on applications of modern techniques or new theories and models to interpret atomic structures and physical or chemical properties of minerals. Some subjects of interest are: -Relationships between atomic structure and crystalline state (structures of various states, crystal energies, crystal growth, thermodynamic studies, phase transformations, solid solution, exsolution phenomena, etc.) -General solid state spectroscopy (ultraviolet, visible, infrared, Raman, ESCA, luminescence, X-ray, electron paramagnetic resonance, nuclear magnetic resonance, gamma ray resonance, etc.) -Experimental and theoretical analysis of chemical bonding in minerals (application of crystal field, molecular orbital, band theories, etc.) -Physical properties (magnetic, mechanical, electric, optical, thermodynamic, etc.) -Relations between thermal expansion, compressibility, elastic constants, and fundamental properties of atomic structure, particularly as applied to geophysical problems -Electron microscopy in support of physical and chemical studies -Computational methods in the study of the structure and properties of minerals -Mineral surfaces (experimental methods, structure and properties)