Logo RUB
  • Institute
    • ICAMS
      • Mission
      • Structure
      • Members
      • Fellows
    • Departments & Research Groups
      • Atomistic Modelling and Simulation
      • Scale-Bridging Thermodynamic and Kinetic Simulation
      • Micromechanical and Macroscopic Modelling
      • Artificial Intelligence for Integrated Material Science
      • Computational Design of Functional Interfaces
      • Scale-Bridging Simulation of Functional Composites
      • Materials Informatics and Data Science
      • High-Performance Computing in Materials Science
    • Central Services
      • Coordination Office
      • IT
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
 
ICAMS
ICAMS
MENÜ
  • RUB-STARTSEITE
  • Institute
    • ICAMS
    • Departments & Research Groups
    • Central Services
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information

Just another WordPress site - Ruhr-Universität Bochum

Superconductivity in S-rich phases of lanthanum sulfide under high pressure

K. Gao, W. Cui, Q. Wang, J. Hao, J. Shi, S. Botti, M. Marques, Y. Li

Physical Review Materials, 6, 064801, (2022)

DOI: 10.1103/physrevmaterials.6.064801

Download: BibTEX

Pressure, a fundamental thermodynamic variable, enables phase transitions to exotic phases with unique physical properties, such as superconductivity. In this work we perform a complete study of crystal structures and relevant electronic properties of La–S crystalline systems in a pressure range of 0–200 GPa. A structural search based on first-principles swarm-intelligence identifies two hitherto unknown pressure-stabilized stoichiometries, namely, LaS3 and LaS5, in addition to the previously reported compounds. We find that the S-S bonding patterns in La–S compounds evolve in the following sequence with increasing S content and pressure: Atomic S, S2 dimers, one-dimensional linear S chains, and two-dimensional S ladders. Further electron-phonon calculations show that both LaS3 and LaS5 are superconductors with critical temperatures of 13.6 K at 100 GPa and 11 K at 120 GPa, respectively. The softened acoustic phonon branches are responsible for their superconductivity. Our current work is expected to guide future experimental studies investigating superconductivity and structural features of La–S system and more, in general, of other rare-earth chalcogenides.

back
{"type":"article", "name":"k.gao20226", "author":"K. Gao and W. Cui and Q. Wang and J. Hao and J. Shi and S. Botti and M. Marques and Y. Li", "title":"Superconductivity in Srich phases of lanthanum sulfide under high pressure", "journal":"Physical Review Materials", "volume":"6", "OPTnumber":"6", "OPTmonth":"6", "year":"2022", "OPTpages":"064801", "OPTnote":"", "OPTkey":"", "DOI":"10.1103/physrevmaterials.6.064801"}
Logo RUB
  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Ruhr-Universität Bochum
Universitätsstraße 150
44801 Bochum

  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Seitenanfang Kontrast N