Вышедшие номера
Half-metallic characteristic in the new full-Heusler SrYO2 (Y = Sc, Ti, V and Cr) *
Переводная версия: 10.1134/S1063783419010190
Nazemi N.1, Ahmadian F.1
1Department of Physics, Shahreza Branch, Islamic Azad University, Shahreza, Iran
Email: farzad.ahmadian@gmail.com
Поступила в редакцию: 10 июля 2018 г.
Выставление онлайн: 20 декабря 2018 г.

Half-metallic properties of SrYO2 (Y = Sc, Ti, V, and Cr) full-Hensler compounds were studied using full-potential linearized augmented plane wave method based on density functional theory. The negative formation energies of SrYO2 (Y = Sc, Ti, V, and Cr) alloys confirmed that they can be synthesized experimentally. Total energy calculations showed that AlCu2Mn-type structure was the ground state structure in all compounds. In both structures, SrYO2 (Y=Ti, V, and Cr) alloys were half-metallic ferrromagnets, while SrScO2 was a non- magnetic metal. The origin of half-metallicity was verified for SrCrO2. SrYO2 (Y = Ti, V, and Cr) alloys in both structures were half-metals in a wide range of lattice constants indicating that they are quite robust against hydrostatic strains. The magnetization of SrYO2 (Y = Ti, V, and Cr) alloys was mainly originated from the 3d electrons of Y( = Ti, V, and Cr) atoms and followed the Slater-Pauling rule: Mtot=Ztot-12. Generally, It is expected that SrYO2 (Y = Ti, V, and Cr) alloys are promising and interesting candidates in the future spintronic field.
  1. I. Zutic, J. Fabian, S. Das Sarma. Rev. Mod. Phys. 76, 323 (2004)
  2. S.A. Wolf, D.D. Awschalom, R.A. Buhrman, J.M. Daughton, S. von Molnar, M.L. Roukes, A.Y. Chtchelkanova, D.M. Treger. Science 294, 1488 (2001)
  3. R.A. de Groot, F.M. Mueller, P.G. van Engen, K.H.J. Buschow. Phys. Rev. Lett. 50, 2024 (1983)
  4. X.-Q. Chen, R. Podloucky, P. Rogl. J. Appl. Phys. 100, 113901 (2006)
  5. K. Ozdogan, I. Galanakis, E. Sasi oglu, B. Akta s. Solid State Commun. 142, 492 (2007)
  6. V. Sharma, A.K. Solanki, A. Kashyap. J. Magn. Magn. Mater. 322, 2922 (2010)
  7. G.D. Liu, X.F. Dai, H.Y. Liu, J.L. Chen, Y.X. Li. Phys. Rev. B 77, 014424 (2008)
  8. S. Kervan, N. Kervan. Intermetallics 24, 56 (2012)
  9. S. Kervan, N. Kervan. Intermetallics 37, 88 (2013)
  10. I. Galanakis, K. Ozdogan, E. Sasi oglu, B. Akta s. Phys. Rev. B 75, 172405 (2007)
  11. J. Li, Y.X. Li, G.X. Zhou, Y.B. Sun, C.Q. Sun. Appl. Phys. Lett. 94, 242502 (2009)
  12. N. Xing, Y. Gong, W. Zhang, J. Dong, H. Li. Comp. Mater. Science 45, 489 (2009)
  13. X-P. Wei, J-B. Deng, Ge-Y. Mao, S.-B. Chu, X.-R. Hu. Intermetallics 29, 86 (2012)
  14. S. Kervan, N. Kervan. Intermetallics 46, 45 (2014)
  15. B.R.K. Nanda, I. Dasgupta. J. Phys. Condens. Matter 15, 7307 (2003)
  16. E. Sa si oglu, L.M. Sandratskii, P. Bruno. J. Appl. Phys. 98, 063523 (2005)
  17. J. Chen, G.Y. Gao, K.L. Yao, M.H. Song. J. Alloys. Comp. 509, 10172 (2011)
  18. X.P. Wei, Y.D. Chu, X.W. Sun, J.B. Deng, Y.Z. Xing. Superlattices Microstruct. 74, 70 (2014)
  19. H. Rozale, A. Lakdja, A. Amar, A. Chahed, O. Benhelal. Comput. Mater. Sci. 69, 229 (2013)
  20. H. Rozale, A. Amar, A. Lakdja, A. Moukadem, A. Chahed. J. Magn. Magn. Mater. 336, 83 (2013)
  21. H. Rozale, M. Khetir, A. Amar, A. Lakdja, A. Sayede, O. Benhelal. Superlattices Microstruct. 74, 146 (2014)
  22. F. Bagverdi, F. Ahmadian, J. Supercond. Nov. Magn. 28, 2773 (2015)
  23. Z. Erfan, F. Ahmadian. J. Supercond. Nov. Magn. 28, 3301 (2015)
  24. M. Dehghanzadeh, F. Ahmadian. Solid. State. Commun. 251, 50 (2017)
  25. G. Pourebrahim, F. Ahmadian. J. Supercond. Nov. Magn. 30, 2811 (2017)
  26. Kh. Rajabi, F. Ahmadian. Solid State. Commun. 271, 29 (2018).
  27. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Hvasnicka, J. Luitz. WIEN2k, an augmented plane wave local orbitals program for calculating crystal properties. Karlheinz Schwarz, Technische Universit Wien. Austria. ISBN 3-9501031-1-2; 2001
  28. J. Perdew, K. Burke, M. Ernzerhof. Phys. Rev. Lett. 77, 3865 (1996)
  29. F.D. Murnaghan. Proc. Natl. Acad. Sci. USA 30, 244 (1947)
  30. S. Kervan, N. Kervan. Intermetallics 19, 1642 (2011)
  31. X.-P. Wei, J.-B. Deng, S.-B. Chu, Ge.-Y. Mao, L.-Bo. Hu, M.-Kun. Yang, X.-Ru. Hu. Comput. Mater. Sci. 50, 1175 (2011)
  32. E. Bayar, N. Kervan, S. Kervan. J. Magn. Magn. Mater. 323, 2945 (2011)
  33. N. Kervan, S. Kervan. J. Magn. Magn. Mater. 324, 645 (2012)
  34. H.M. Huang, S.J. Luo, K.L. Yao. J. Magn. Magn. Mater. 324, 2560 (2012).

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.