Synthesis, crystal structure and physical properties of ThV2Si2C containing V2C square lattices

We report a new quaternary compound, ThV2Si2C, containing V2C square nets that are sandwiched by Si sheets. The compound crystallizes in a CeCr2Si2C-type structure with cell parameters of a = b = 4.1008 Å and c = 5.4150 Å. Magnetic, electrical transport, and specific heat measurements confirm the Pa...

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Bibliographic Details
Published in:Journal of materials chemistry. A, Materials for energy and sustainability Materials for energy and sustainability, 2024-05, Vol.12 (18), p.11075-11081
Main Authors: Xiao, Yusen, Chen, Yongliang, Li, Yong, Wen, Zhiwei, Cui, Yajing, Jia, Tao, Li, Shulong, Li, Baizhuo, Wu, Kaixin, Duan, Qingchen, Ni, Hao, Liu, Shaohua, Cao, Wang, Zhao, Yong
Format: Article
Language:English
Subjects:
Crystal lattices
Crystal structure
Current carriers
Electron states
First principles
Magnetoresistance
Magnetoresistivity
Metals
Orbitals
Physical properties
Specific heat
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Summary:We report a new quaternary compound, ThV2Si2C, containing V2C square nets that are sandwiched by Si sheets. The compound crystallizes in a CeCr2Si2C-type structure with cell parameters of a = b = 4.1008 Å and c = 5.4150 Å. Magnetic, electrical transport, and specific heat measurements confirm the Pauli paramagnetic metal behavior in ThV2Si2C, concomitant with low magnetoresistance. At temperatures below 2 K, a possible weak superconducting transition is found. First-principles calculations reveal that V-3d orbitals dominate the electronic states at around the Fermi energy. These states predominantly originate from the dx2−y2, dz2, and dyz orbitals, defining the primarily anisotropic nature of conduction within the V2Si2C block. The differences in the orbital-dependent pairing among charge carriers within isomorphic compounds are discussed.
ISSN:2050-7488
2050-7496
DOI:10.1039/d4ta00088a