Pressure-induced metallic state in a van der Waals cluster Mott insulator Nb3Cl8

IF 9.7 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Materials Today Physics Pub Date : 2023-11-01 DOI:10.1016/j.mtphys.2023.101267

P.F. Shan , X. Han , X. Li , Z.Y. Liu , P.T. Yang , B.S. Wang , J.F. Wang , H.Y. Liu , Y.G. Shi , J.P. Sun , J.-G. Cheng

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Abstract

We report on the pressure-induced metallization of a van der Waals cluster Mott insulator Nb₃Cl₈ by employing the resistivity measurements under high pressure. Upon compression, its resistance and energy gap are suppressed gradually with exhibiting the fully metallic state at a critical pressure of P_c ≈ 70 GPa. Hall resistance measurements revealed a significant band-structure reconstruction around P_c, where the dominant charge carriers are altered from hole-to electron-type and the carrier concentration experiences a sharp increase in the metallic state. In addition, high-pressure synchrotron XRD measurements uncover a possible structural phase transition around P_c. Our further first-principles calculations reproduced the pressure-driven structure transition and the corresponding metallic state above P_c. The present study demonstrates a feasible high-pressure route to realize the metallization of cluster Mott insulator Nb₃Cl₈.

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范德华簇莫特绝缘体Nb3Cl8的压力诱导金属态

本文报道了一种范德华簇莫特绝缘子Nb3Cl8在高压下的电阻率测量方法。压缩后，其电阻和能隙逐渐被抑制，在Pc≈70 GPa的临界压力下呈现全金属态。霍尔电阻测量结果显示，Pc周围有明显的能带结构重构，主要载流子由空穴型转变为电子型，载流子浓度在金属态下急剧增加。此外，高压同步加速器XRD测量揭示了Pc周围可能存在的结构相变。我们进一步的第一性原理计算再现了Pc以上压力驱动的结构转变和相应的金属态。本研究为实现簇莫特绝缘子Nb3Cl8金属化提供了一条可行的高压途径。

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来源期刊

Materials Today Physics Materials Science-General Materials Science

CiteScore

14.00

自引率

7.80%

发文量

284

审稿时长

15 days

期刊介绍： Materials Today Physics is a multi-disciplinary journal focused on the physics of materials, encompassing both the physical properties and materials synthesis. Operating at the interface of physics and materials science, this journal covers one of the largest and most dynamic fields within physical science. The forefront research in materials physics is driving advancements in new materials, uncovering new physics, and fostering novel applications at an unprecedented pace.