Electronic structure and phase transition engineering in NbS<sub>2</sub>: Crucial role of van der Waals interactions

Electronic structure and phase transition engineering in NbS₂: Crucial role of van der Waals interactions

Wang Wei¹, Lei Wen¹, Zheng Xiaojun¹, Li Huan¹, Tang Xin², Ming Xing^{1, †}

Variations of the volume as a function of pressure. (a) Structural phase transitions from 3R to 1T phase at 17 GPa, and from 1T to I4/mmm phase at 35 GPa. (b) Structural phase transition from 2H to I4/mmm phase at 38 GPa.