Temperature-driven n-p conduction type switching without structural transition in a Cu-rich chalcogenide, NaCu5S3

Shangqing Qu; Yonggang Wang; Yu Xiao; Yujie Yuan; Shengyi Li; Jikun Chen; Lidong Zhao; Zhiguo Xia; Jing Zhao

doi:10.1039/d0cc01429j

Temperature-driven n-p conduction type switching without structural transition in a Cu-rich chalcogenide, NaCu₅S₃

Chem Commun (Camb). 2020 May 5;56(36):4882-4885. doi: 10.1039/d0cc01429j.

Authors

Shangqing Qu¹, Yonggang Wang², Yu Xiao³, Yujie Yuan⁴, Shengyi Li⁵, Jikun Chen⁴, Lidong Zhao³, Zhiguo Xia⁶, Jing Zhao⁴

Affiliations

¹ The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing 100083, China. jingzhao@ustb.edu.cn xiazg@ustb.edu.cn and Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing, 100094, China. yonggang.wang@hpstar.ac.cn.
² Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing, 100094, China. yonggang.wang@hpstar.ac.cn.
³ School of Materials Science and Engineering, Beihang University, Beijing 100191, China.
⁴ The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing 100083, China. jingzhao@ustb.edu.cn xiazg@ustb.edu.cn.
⁵ CAS Key Laboratory of Molecular Nanostructure and Nanotechnology, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences (CAS), Beijing 100190, China and School of Chemical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China.
⁶ The Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing 100083, China. jingzhao@ustb.edu.cn xiazg@ustb.edu.cn and State Key Laboratory of Luminescent Materials and Devices and Institute of Optical Communication Materials, South China University of Technology, Guangzhou, 510641, China.

PMID: 32285903
DOI: 10.1039/d0cc01429j

Abstract

We report for the first time the discovery of reversible n-p conduction type switching in a chalcogenide, NaCu5S3, without structural transition. AC impedance and first-principles simulations of the ionic migration confirmed the local melting trends of the hexagonal copper lattice at high temperatures, which could result in superionic conductivity within NaCu5S3.