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Structural phase transition and metallization in compressed SrC2

  • Letter
  • Condensed Matter Physics
  • Published:
Chinese Science Bulletin

Abstract

The structural, dynamical, and electronic properties of compressed SrC2 were systematically investigated up to 200 GPa by using ab initio method. Three new phases are obtained by means of evolutionary algorithm. The confirmed most stable structure has C2/c symmetry at zero pressure, which transforms into an orthorhombic Cmcm phase at 4.5 GPa, followed by another orthorhombic Immm phase, which is stabilized at wide pressure range of 21.5–123.5 GPa, and then transformed into MgB2-type phase (space group, P6/mmm). Although SrC2 has similar structural transformation to that of compressed CaC2, SrC2 holds small electron–phonon coupling, which leads to its low superconducting critical temperature (only 1.8 K).

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References

  1. Gillan MJ, Alfè D, Brodholt J et al (2006) Rep Prog Phys 69:2365–2441

    Article  Google Scholar 

  2. McMillan PF (2006) Chem Soc Rev 35:855–857

    Article  Google Scholar 

  3. Katrusiak A (2008) Acta Crystallogr Sect A 64:135–148

    Article  Google Scholar 

  4. Nylén J, Konar S, Lazor P et al (2012) J Chem Phys 137:224507

    Article  Google Scholar 

  5. Benson D, Li YL, Luo W et al (2013) Inorg Chem 52:6402–6406

    Article  Google Scholar 

  6. Li YL, Luo W, Zeng Z et al (2013) Proc Natl Acad Sci USA 110:9289–9294

    Article  Google Scholar 

  7. Efthimiopoulos I, Kunc K, Vazhenin GV et al (2012) Phys Rev B 85:054105

    Article  Google Scholar 

  8. Knapp M, Ruschewitz U (2001) Chemistry 7:874–880

    Article  Google Scholar 

  9. Vohn V, Knapp M, Ruschewitz U (2000) J Solid State Chem 151:111–116

    Article  Google Scholar 

  10. Oganov AR, Glass CW (2006) J Chem Phys 124:244704–244715

    Article  Google Scholar 

  11. Glass CW, Oganov AR, Hansen N (2006) Comput Phys Commun 175:713–720

    Article  Google Scholar 

  12. Kresse G, Furthmüller J (1996) Comput Mater Sci 6:15–50

    Article  Google Scholar 

  13. Perdew JP, Burke K, Ernzerhof M (1996) Phys Rev Lett 77:3865–3868

    Article  Google Scholar 

  14. Giannozzi P, Baroni S, Bonini N et al (2009) J Phys Condes Matter 21:395502

    Article  Google Scholar 

  15. Vanderbilt D (1990) Phys Rev B 41:7892–7895

    Article  Google Scholar 

  16. Allen PB, Dynes RC (1975) Phys Rev B 12:905–922

    Article  Google Scholar 

Download references

Acknowledgments

This work was supported by the National Natural Science Foundation of China (11347007), Qing Lan Project, the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD), Jiangsu Overseas Research and Training Program for University Prominent Young and Middle-aged Teachers and Presidents. Part of the calculations was performed in Center for Computational Science of CASHIPS and the Swedish National Infrastructure for Computing (SNIC).

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Authors and Affiliations

  1. School of Physics and Electronic Engineering, Jiangsu Normal University, Xuzhou, 221116, China

    Yan-Ling Li

  2. Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, 751 20, Uppsala, Sweden

    Rajeev Ahuja

  3. Beijing Computational Science Research Center, Beijing, 100089, China

    Hai-Qing Lin

Authors
  1. Yan-Ling Li
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  2. Rajeev Ahuja
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  3. Hai-Qing Lin
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Corresponding authors

Correspondence to Yan-Ling Li or Hai-Qing Lin.

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SPECIAL TOPIC: High Pressure Physics

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Li, YL., Ahuja, R. & Lin, HQ. Structural phase transition and metallization in compressed SrC2 . Chin. Sci. Bull. 59, 5269–5271 (2014). https://doi.org/10.1007/s11434-014-0576-z

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  • DOI: https://doi.org/10.1007/s11434-014-0576-z

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