Band insulator to Mott insulator transition in 1T-TaS2

Y. D. Wang, W. L. Yao, Z. M. Xin, T. T. Han, Z. G. Wang, L. Chen, C. Cai, Yuan Li and Y. Zhang ()
Additional contact information
Y. D. Wang: Peking University
W. L. Yao: Peking University
Z. M. Xin: Peking University
T. T. Han: Peking University
Z. G. Wang: Peking University
L. Chen: Peking University
C. Cai: Peking University
Yuan Li: Peking University
Y. Zhang: Peking University

Nature Communications, 2020, vol. 11, issue 1, 1-7

Abstract: Abstract 1T-TaS2 undergoes successive phase transitions upon cooling and eventually enters an insulating state of mysterious origin. Some consider this state to be a band insulator with interlayer stacking order, yet others attribute it to Mott physics that support a quantum spin liquid state. Here, we determine the electronic and structural properties of 1T-TaS2 using angle-resolved photoemission spectroscopy and X-Ray diffraction. At low temperatures, the 2π/2c-periodic band dispersion, along with half-integer-indexed diffraction peaks along the c axis, unambiguously indicates that the ground state of 1T-TaS2 is a band insulator with interlayer dimerization. Upon heating, however, the system undergoes a transition into a Mott insulating state, which only exists in a narrow temperature window. Our results refute the idea of searching for quantum magnetism in 1T-TaS2 only at low temperatures, and highlight the competition between on-site Coulomb repulsion and interlayer hopping as a crucial aspect for understanding the material’s electronic properties.

Date: 2020
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DOI: 10.1038/s41467-020-18040-4

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