Journal of Superconductivity and Novel Magnetism

, Volume 27, Issue 11, pp 2455–2460 | Cite as

Theoretical Investigation of the Phase Transition, Elastic and Superconductivity Properties of LaS Under Pressure

  • Jing Gao
  • Yindi Liu
  • Qiaoling Zhang
  • Guisheng Qi
  • Weizhou Jiao
Original Paper
First Online:
Received:
Accepted:

Abstract

The first-principles method has been performed to investigate the phase transition, elastic, thermodynamic and superconductivity properties of lanthanum monosulphide (LaS) under pressure. A structural phase transition from the NaCl-type (B1) to CsCl-type (B2) structure is found to occur at around 16.8 GPa. The calculated ground state properties such as lattice constants, bulk modulus, and Debye temperatures are in good agreement with experimental data. Finally, the pressure dependence of the theoretical elastic constants and elastic modulus of LaS has been studied. The observations show that LaS is mechanically stable not only in B1 phase below 8.77 GPa but also in B2 phase under high pressure. LaS is ductile in B1 phase while brittle in B2 phase. The present observation of physical properties in B2 phase of LaS needs validation by future experimental.

Keywords

Phase transition Elastic properties Debye temperature Superconductivity 
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Notes

Acknowledgments

The authors are thankful for the financial supports of the National Youth Science Foundation of China (21206153), Research Project of Shanxi Provincial Science and Technology Department (20130321035-02), and the Natural Science Foundation of Shanxi Province (2012011008-2).

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Copyright information

© Springer Science+Business Media New York 2014

Authors and Affiliations

  • Jing Gao
    • 1
  • Yindi Liu
    • 1
  • Qiaoling Zhang
    • 1
  • Guisheng Qi
    • 1
  • Weizhou Jiao
    • 1
  1. 1.Higher Education Key Laboratory of High Gravity Science and Technology for Chemical Engineering in Shanxi ProvinceNorth University of ChinaTaiyuanChina

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