Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 27th March 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.

Issue 46, 2018
Previous Article Next Article

Phase transition and superconductivity in ReS2, ReSe2 and ReTe2

Author affiliations


Transition metal dichalcogenides have attracted significant attention due to both fundamental interest and their potential applications. Here, we have systematically explored the crystal structures of ReX2 (X = S, Se, and Te) over the pressure range of 0–300 GPa, employing swarm-intelligence-based structure prediction methodology. Several new structures are found to be stable at high pressures. The calculated enthalpy of formation suggested that all predicted high-pressure structures are stable against decomposition into elemental end-members. Moreover, we found that the simulated X-ray diffraction patterns of ReSe2 are in good agreement with experimental data. Pressure-induced metallization of ReX2 has been revealed from the analysis of its electronic structure. Our electron–phonon coupling calculations indicate ReSe2 and ReTe2 are superconducting phases at high pressures.

Graphical abstract: Phase transition and superconductivity in ReS2, ReSe2 and ReTe2

Back to tab navigation

Publication details

The article was received on 23 Aug 2018, accepted on 06 Nov 2018 and first published on 20 Nov 2018

Article type: Paper
DOI: 10.1039/C8CP05333B
Citation: Phys. Chem. Chem. Phys., 2018,20, 29472-29479

  •   Request permissions

    Phase transition and superconductivity in ReS2, ReSe2 and ReTe2

    J. Zhang, E. Sun, X. Feng, H. Liu, S. A. T. Redfern, V. Kanchana, G. Liu and H. Wang, Phys. Chem. Chem. Phys., 2018, 20, 29472
    DOI: 10.1039/C8CP05333B

Search articles by author