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Properties of group III–V semiconductor: BAs

  • Anugya Rastogi
  • Priyanka Rajpoot
  • U P VermaEmail author
Article
  • 8 Downloads

Abstract

The structural, electronic, mechanical, thermal and optical properties of boron arsenide (BAs) semiconductor, which belongs to group III–V, has been studied using the first-principles approach. BAs is a binary semiconductor compound, which has a space group F-43m at ambient temperature. The structural and electronic properties of BAs are found to be in good agreement with the available experimental and theoretical results. Some of the mechanical properties are also in agreement with the data available. The thermal parameters such as Debye temperature, specific heat and Grüneisen parameter are analysed as functions of temperature and pressure.

Keywords

Semiconductors ab-initio PBEsol-GGA computational studies mechanical and physical properties density functional theory 

Notes

Acknowledgements

Financial assistance and the computational facilities provided by the department are gratefully acknowledged.

References

  1. 1.
    Phillips P C and Van Vechten J A 1970 Phys. Rev. B 2 2160CrossRefGoogle Scholar
  2. 2.
    Cui S, Feng W, Hu H, Feng Z and Wang Y 2009 Comput. Mater. Sci. 44 1386CrossRefGoogle Scholar
  3. 3.
    Broido D A, Lindsay L and Reinecke T L 2013 Phys. Rev. B 88 214303CrossRefGoogle Scholar
  4. 4.
    Lindsay L, Broido D A and Reinecke T L 2013 Phys. Rev. Lett. 111 025901CrossRefGoogle Scholar
  5. 5.
    Boudjemline A, Islam M M, Louail L and Diawara B 2011 Physica B 406 4272CrossRefGoogle Scholar
  6. 6.
    Wang S, Swingle S F, Ye H, Fan F-R F, Cowley A H and Bard A J 2012 J. Am. Chem. Soc. 134 11056CrossRefGoogle Scholar
  7. 7.
    Bouhafs B, Aourag H and Cartier M 2000 J. Phys.: Condens. Matter 12 5655Google Scholar
  8. 8.
    Meradji H, Drablia S, Ghemid S, Belkhir H, Bouhafs B and Tadjer A 2004 Phys. Status Solidi B 241 2881CrossRefGoogle Scholar
  9. 9.
    Bouhafs B, Aourag H, Ferhat M and Certier M 1999 J. Phys.: Condens. Matter 11 5781Google Scholar
  10. 10.
    Greene R G, Luo H, Ruoff A L, Trail S S and DiSalvo Jr F 1994 Phys. Rev. Lett. 73 2476CrossRefGoogle Scholar
  11. 11.
    Perri J A, La Placa S and Post B 1958 Acta Crystallogr. 11 310CrossRefGoogle Scholar
  12. 12.
    Stukel D J 1970 Phys. Rev. B 1 3458CrossRefGoogle Scholar
  13. 13.
    Ku S M 1966 J. Electrochem. Soc. 113 813CrossRefGoogle Scholar
  14. 14.
    Protik N B, Carrete J, Katcho N A, Mingo N and Broido D 2016 Phys. Rev. B 94 045207CrossRefGoogle Scholar
  15. 15.
    Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865CrossRefGoogle Scholar
  16. 16.
    Perdew J P, Ruzsinszky A, Csonka G I, Vydrov O A, Scuseria G E., Constantin L A et al 2008 Phys. Rev. Lett. 100 136406CrossRefGoogle Scholar
  17. 17.
    Ropo M, Kokko K and Vitos L 2008 Phys. Rev. B 77 195445CrossRefGoogle Scholar
  18. 18.
    Perdew J P, Chevary J A, Vosko K A, Pederson M R, Singh D J and Fiolhais C 1992 Phys. Rev. B 46 6671CrossRefGoogle Scholar
  19. 19.
    Vitos L, Ruban A V, Skriver H L and Kollár J 1998 Surf. Sci. 411 186CrossRefGoogle Scholar
  20. 20.
    Liu W, Liu X, Zheng W T and Jiang Q 2006 Surf. Sci. 600 257CrossRefGoogle Scholar
  21. 21.
    Blaha P 2001 WIEN2K, an augmented plane wave+local orbital program for calculating crystal properties (Vienna, Austria: Vienna University of Technology)Google Scholar
  22. 22.
    Murnaghan F D 1944 Proc. Natl. Acad. Sci. USA 30 244CrossRefGoogle Scholar
  23. 23.
    Madelung O and Landolt-Börnstein 1982 New series, group III (Berlin: Springer) p 17Google Scholar
  24. 24.
    Wentzcovitch R M and Cohen M L 1986 J. Phys. C: Solid State Phys. 19 6791CrossRefGoogle Scholar
  25. 25.
    Zaoui A and Hassan F E H 2001 J. Phys.: Condens. Matter 13 253Google Scholar
  26. 26.
    Ustundag M, Aslan M and Yalcin B G 2014 Comput. Mater. Sci. 81 471CrossRefGoogle Scholar
  27. 27.
    Mohammad R and Katircioğlu Ş 2009 J. Alloys Compd. 485 687CrossRefGoogle Scholar
  28. 28.
    Ahmed R, Javad H S, Akbarzadeh H, Ahmed M and Fazal A 2007 Comput. Mater. Sci. 39 580CrossRefGoogle Scholar
  29. 29.
    Kittel C 1953 Introduction to solid state physics (New York: John Wiley & Sons)Google Scholar
  30. 30.
    Güler E and Güler M 2014 Mater. Res. Ibero-Am. J. Mater. 17 1268Google Scholar
  31. 31.
    Güler E and Güler M 2013 Int. J. Multiphys. 7 95CrossRefGoogle Scholar
  32. 32.
    Bensalem S, Chegaar M, Maouche D and Bouhemadou A 2014 J. Alloys Compd. 589 137CrossRefGoogle Scholar
  33. 33.
    Guemou M, Abdiche A, Riane R and Khenata R 2014 Phys. B: Condens. Matter 436 33CrossRefGoogle Scholar
  34. 34.
    Gao X, Jiang Y, Zhou R and Feng J 2014 J. Alloys Compd. 587 819CrossRefGoogle Scholar
  35. 35.
    Daoud S 2015 Int. J. Sci. World 3 37CrossRefGoogle Scholar
  36. 36.
    Zhang M, Yan H, Zhao Y and Wei Q 2014 Comput. Mater. Sci. 83 457CrossRefGoogle Scholar
  37. 37.
    Wang S, Li J X, Du Y L and Cui C 2014 Comput. Mater. Sci. 83 290CrossRefGoogle Scholar
  38. 38.
    Feng L P, Li N, Yang M H and Liu Z T 2014 Mater. Res. Bull. 50 503CrossRefGoogle Scholar
  39. 39.
    Viswanathan E and Sundareswari M 2015 J. Chem. Pharm. Sci. 11 11Google Scholar
  40. 40.
    Rahmati A, Ghooestani M, Badehian H and Baizaee M 2014 Mater. Res. 17 303CrossRefGoogle Scholar
  41. 41.
    Kanchana V and Ram S 2012 Intermetallics 23 39CrossRefGoogle Scholar
  42. 42.
    Güler M and Güler E 2013 Chin. Phys. Lett. 30 056201CrossRefGoogle Scholar
  43. 43.
    Greaves G N, Greer A L, Lakes R S and Rouxel T 2011 Nat. Mater. 10 823CrossRefGoogle Scholar
  44. 44.
    Boucetta S and Zegrar F 2013 J. Magnes. Alloys 1 128CrossRefGoogle Scholar
  45. 45.
    Daoud S, Loucif K, Bioud N and Lebgaa N 2012 Acta Phys. Pol. A 122 109CrossRefGoogle Scholar
  46. 46.
    Adachi S 2009 Properties of semiconductor alloys: group-IV, III–V and II–VI semiconductors (ISBN: 978-0-470-74369-0, West Sussex P019 8SQ, England: John Wiley & Sons Ltd)Google Scholar
  47. 47.
    Varshney D, Joshi G, Varshney M and Shriya S 2010 Solid State Sci. 12 864CrossRefGoogle Scholar
  48. 48.
    Sarwan M, Bhardwaj P and Singh S 2013 Chem. Phys. 426 1Google Scholar
  49. 49.
    Bahadur A and Mishra M 2012 J. Res. Phys. 36 31CrossRefGoogle Scholar
  50. 50.
    Shen S G 1994 J. Phys.: Condens. Matter 6 8733Google Scholar
  51. 51.
    Verma A S 2015 Mater. Sci. Semicond. Process. 29 2CrossRefGoogle Scholar
  52. 52.
    Muramatsu S and Kitamura M 1993 J. Appl. Phys. 73 4270CrossRefGoogle Scholar
  53. 53.
    Daoud S, Bioud N and Bouarissa N 2015 Mater. Sci. Semicond. Process. 31 124CrossRefGoogle Scholar
  54. 54.
    Blonco M A, Francisco E and Luana V 2004 Comput. Phys. Commun. 158 57CrossRefGoogle Scholar
  55. 55.
    Siethoff H 1997 Intermetallics 5 625CrossRefGoogle Scholar
  56. 56.
    Kumar V, Jha V and Shrivastava A K 2010 Cryst. Res. Technol. 45 920CrossRefGoogle Scholar
  57. 57.
    Ravindran P, Fast L, Korzhavyi P A and Johansson B 1998 J. Appl. Phys. 84 4891CrossRefGoogle Scholar
  58. 58.
    Petit A T and Dulong P L 1819 Ann. Chem. Phys. 10 395Google Scholar
  59. 59.
    Berrah S, Boukortt A and Abid H 2009 Physica E 41 701CrossRefGoogle Scholar
  60. 60.
    Fox M 2001 Optical properties of solids (New York: Oxford University Press) p 6Google Scholar
  61. 61.
    Malsawmtluanga A, Lalnunpuia, Ralte R L and Pachuau Z 2014 Ind. J. Sci. Res. Technol. 2 108Google Scholar
  62. 62.
    Boukortt A, Berrah S, Haynd R and Zaoui A 2010 Physica B 405 763CrossRefGoogle Scholar
  63. 63.
    Bouhemadou A, Al-Essa S, Allali D, Ghebouli M A and Bin-Omran S 2013 Solid State Sci. 20 127CrossRefGoogle Scholar
  64. 64.
    Jani O, Honsberg C, Asghar A, Nicol D, Ferguson I, Doolittle A et al 2005 The 31st IEEE photovoltaic specialists conf. 3–7 JanuaryGoogle Scholar
  65. 65.
    Amin B, Khenata R, Bouhemadou A, Iftikhar Ahmad and Maqbool M 2012 Physica B 407 2588Google Scholar
  66. 66.
    Ziane M I, Bensaad Z, Tarik O and Hamza B 2015 Mater. Sci. Semicond. Process. 30 181CrossRefGoogle Scholar

Copyright information

© Indian Academy of Sciences 2019

Authors and Affiliations

  1. 1.School of Studies in PhysicsJiwaji UniversityGwaliorIndia

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