Entropy-Driven Structural Phase Transition in Nb${}_3$Cl${}_8$ via Density Functional Theory and an Effective Model

Chenjie Zhu, Shuai Zhang, Zhong Fang +3

As a prototypical flat-band cluster Mott insulator on an effective triangular lattice, Nb${}_3$Cl${}_8$ is a potential candidate for hosting a quantum spin liquid (QSL) state. Neverthe…