High‐Pressure‐Induced Lattice and Electronic Structural Transformations in Multilayer ZrS2

Author:

Zhu Jian1ORCID,Feng Dengman1,Li Liang1,Zhou Qiang1,Yan Yalan2ORCID

Affiliation:

1. State Key Laboratory of Superhard Materials Synergetic Extreme Condition High‐Pressure Science Center College of Physics Jilin University No. 2699 Road Changchun 130012 P. R. China

2. Institute for Interdisciplinary Biomass Functional Materials Studies Jilin Provincial Key Laboratory of Straw‐Based Functional Materials Jilin Engineering Normal University No. 3050 Kaixuan Road Changchun 130052 P. R. China

Abstract

Compared with Group VIB transition metal dichalcogenides (TMDs), Group IVB TMDs, specifically ZrX2, have exhibited superior carrier mobility, rendering them highly promising for developing innovative electron devices. The application of high‐pressure has been identified as an effective approach for altering the physical properties of TMDs by manipulating their lattice and electronic structures. This subject has attracted considerable attention within the scientific community. In this investigation, in situ high‐pressure Raman scattering and UV‐visible absorption spectra analysis are conducted to examine the lattice and electronic structural changes in multilayer ZrS2. Raman spectroscopy analysis reveals two phase transitions occurring at 3.65 and 10.95 GPa. Concurrently, the optical absorption findings reveal a distinct transformation in both the optical energy gap and Urbach energy at 3.34 GPa, highlighting the accompanying lattice and electronic structural changes in ZrS2 under high‐pressure. Moreover, these lattice and electronic structural changes are found to be irreversible, indicating the potential utility of compressed ZrS2 in optoelectronic devices.

Funder

National Natural Science Foundation of China

Publisher

Wiley

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