Physics of the Solid State
Volumes and Issues
Investigation on Structural, Electronic, Thermal, and Thermoelectric Properties of Co2MnGa under Pressure Based on Density Functional Theory
Fazeli Kisomi A. 1, Mousavi S. J. 2, Nedaee-Shakarab B. 1
1Department of Physics, Ardabil Branch, Islamic Azad University, Ardabil, Iran
2Department of Physics, Rasht Branch, Islamic Azad University, Rasht, Iran
Email: alif1364@yahoo.com, j_mousavi@iaurasht.ac.ir, nedaieshakarab@gmail.com

PDF
Structural, electronic, thermal, and thermoelectric properties of Co2MnGa under 0, 5, 10, and 15 GPa pressures have been investigated. In electronic properties, in minority spin, a pseudo band gap (about 0.25 eV) is visible. Thermal properties in the range of 0 to 700 K have been calculated. Our results in thermal properties have a good agreement with another theoretical work. Calculations of thermoelectric properties, in both spin up and down, in the range of 100 to 700 K have been done. In spin up, an abnormal behavior is observed under 5 GPa for electrical conductivity. This is due to increase in Mt at this pressure. The sign and value of Seebeck coefficient in spin up at 300 K has a good consistency with experimental work. Other thermoelectric properties such as: power factor, electronic thermal conductivity divided by relaxation time, electronic contribution of heat capacity at constant volume under pressure have been studied. Keywords: Co2MnGa, density functional theory, electronic properties under pressure, thermoelectric properties under pressure.
  1. E.G. Ozdemir and Z. Merdan. J. Alloys. Compd. 807, 18, 151656 (2019)
  2. H. Abbassa, A. Labdelli, S. Meskine, Y. Benaissa Cherif, and A. Boukortt. Mod. Phys. Lett. B 34, 2, 2050028 (2020)
  3. F. Lei, C. Tang, S. Wang, and W. He. J. Alloys. Compd. 509, 17, 5187 (2011)
  4. A. Bentouaf, F. Bouras, R. Mebsout, and B. Aissa. J. Supercond. Nov. Magn. 33, 4, 1177 (2020)
  5. A. Anjami, A. Boochani, S.M. Elahi, and H. Akbari. Results Phys. 7, 3522 (2017)
  6. P.J. Webster. J. Phys. Chem. Solids 32, 6, 1221 (1971)
  7. T. Saito and D. Nishio-Hamane. Physica B 603, 412761 (2021)
  8. A. Candan, G. Ugur, Z. Charifi, H. Baaziz, and M.R. Ellialtioglu. J. Alloys. Compd. 560, 215 (2013)
  9. R. Mebsout, S. Amari, S. Mecabih, B. Abbar, and B. Bouhafs. Int. J. Thermophys. 34, 3, 507 (2013)
  10. S. Picozzi, A. Continenza, and A.J. Freeman. Phys. Rev. B 66, 9, 94421 (2002)
  11. S. Ouardi, G.H. Fecher, B. Balke, A. Beleanu, X. Kozina, G. Stryganyuk, C. Felser, W. Klob, H. Schrader, F. Bernardi, J. Morais, E. Ikenaga, Y. Yamashita, S. Ueda, and K. Kobayashi. Phys. Rev. B 84, 15, 155122 (2011)
  12. H. Joshi, D.P. Rai, Sandeep, and R.K. Thapa. J. Phys. Conf. Ser. 765, 012010 (2016)
  13. S. Amari, R. Mebsout, S. Mecabih, B. Abbar, and B. Bouhafs. Intermetallics 44, 26 (2014)
  14. S. Ishida, S. Fujii, S. Kashiwagi, and S. Asano. J. Phys. Soc. Jpn 64, 2152 (1995)
  15. S. Ishida, T. Masaki, S. Fujii, and S. Asano. Physica B 245, 1-2, 1 (1998)
  16. M.A. Blanco, E. Francisco, and V. Luana. Comput. Phys. Commun. 158, 1, 57 (2004)
  17. S. Ram, M.R. Chauhan, K. Agarwal, and V. Kanchana. Philos. Mag. Lett. 91, 8, 545 (2011)
  18. A. Otero-de-la-Roza and V. Luana. Comput. Phys. Commun. 182, 8, 1708 (2011)
  19. A. Otero-de-la-Roza, D. Abbasi-Perez, and V. Luana. Comput. Phys. Commun. 182, 10, 2232 (2011)
  20. A. Fazeli Kisomi and S.J. Mousavi. Mater. Phys. Mech. 40, 1, 112 (2018)
  21. P. Blaha, G.K.H. Madsen, D. Kvasnicka, and J. Luitz. WIEN2K, an Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties. Vienna, Austria (2008)
  22. G.K.H. Madsen and D.J. Singh. Comput. Phys. Commun. 175, 1, 67 (2006)
  23. J.P. Perdew, K. Burke, and M. Ernzerhoff. Phys. Rev. Lett. 77, 18, 3865 (1996)
  24. R.A. Faregh, A. Boochani, S.R. Masharian, and F.H. Jafarpour. Int. Nano. Lett. 9, 339 (2019)
  25. A. Ayuela, J. Enkovaara, K. Ullakko, and R.M. Nieminen. J. Phys.: Condens. Matter 11, 8, 2017 (1999)
  26. A. Fazeli Kisomi, B. Nedaee-Shakarab, A. Boochani, H. Akbari, and S.J. Mousavi. Phys. Solid State. 61, 11, 1969 (2019)
  27. Z.-J. Yang, Q.-H. Gao, H.-N. Xiong, J.-X. Shao, X.-W. Wang, and Z.-J. Xu. Sci. Rep. 7, 16522 (2017)

Подсчитывается количество просмотров абстрактов ("html" на диаграммах) и полных версий статей ("pdf"). Просмотры с одинаковых IP-адресов засчитываются, если происходят с интервалом не менее 2-х часов.

Дата начала обработки статистических данных - 27 января 2016 г.

Publisher:

Ioffe Institute

Institute Officers:

Director: Sergei V. Ivanov

Contact us:

26 Polytekhnicheskaya, Saint Petersburg 194021, Russian Federation
Fax: +7 (812) 297 1017
Phone: +7 (812) 297 2245
E-mail: post@mail.ioffe.ru