Synthesis, crystal structure and physical properties of ThV 2 Si 2 C containing V 2 C square lattices

• 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, Wang, Cao, Zhao, Yong
• Format: Article
• Language: English
• ISSN: 2050-7488; 2050-7496
• DOI: 10.1039/D4TA00088A

We report a new quaternary compound, ThV 2 Si 2 C, containing V 2 C square nets that are sandwiched by Si sheets. The compound crystallizes in a CeCr 2 Si 2 C-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 ThV 2 Si 2 C, 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 d x 2 − y 2 , d z 2 , and d yz orbitals, defining the primarily anisotropic nature of conduction within the V 2 Si 2 C block. The differences in the orbital-dependent pairing among charge carriers within isomorphic compounds are discussed.