Work

Origin of the phase transition in IrTe 2 : Structural modulation and local bonding instability

Year: 2013

Type: article

Abstract: We used x-ray and neutron diffraction to determine the low-temperature structure of IrTe${}_{2}$. A structural modulation was observed with a wave vector of $\mathbit{k}=(1/5,0,1/5)$ below ${T}_{s}\ensuremath{\approx}285$ K, accompanied by a structural transition from a trigonal to a triclinic lattice. We also performed first-principles calculations for high-temperature and low-temperature structures, which elucidate the nature of the phase transition and the low-temperature structure. A local bonding instability associated with the Te $5p$ states is likely the origin of the structural phase transition in IrTe${}_{2}$.

Source: Physical Review B

DOI: 10.1103/physrevb.88.115122

Authors: Huibo Cao, Bryan C. Chakoumakos, Xin Chen, Jiaqiang Yan, Michael A. McGuire, Hui Yang, Radu Custelcean, Haidong Zhou, David J. Singh, David Mandrus

Institutions: Oak Ridge National Laboratory, University of Tennessee at Knoxville, Northeastern University, Florida State University, National High Magnetic Field Laboratory

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: U.S. Department of Energy, China Scholarship Council, Basic Energy Sciences

OpenAlex ID: W2124759077

FWCI: 4.938

Cites: 30

Cited by: 76

Related to: 10