Structural and electronic properties of a new material --- SrOs2O6*
Agzamova P. A.1,2, Streltsov S. V.1,2
1M.N. Mikheev Institute of Metal Physics, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Russia
2Ural Federal University after the first President of Russia B.N. Yeltsin, Yekaterinburg, Russia
Email: polly@imp.uran.ru

PDF
It was shown theoretically that a new material SrOs2O6 can exist; the crystal structure of SrOs2O6 is formed by the layers of OsO6 octahedra having common edges and forming a honeycomb type lattice. The structural and electronic properties of SrOs2O6 were investigated by the first-principal calculations. An antiferromagnetic structure was found to be energetically favorable for the studied compound. Keywords: ab initio calculations, low dimensional magnetism, band structure.
  1. S.M. Winter, A.A. Tsirlin, M. Daghofer, J. van den Brink, Y. Singh, P. Gegenwart, R. Valenti. J. Phys. Condens. Matter 29, 493002 (2017)
  2. H. Takagi, T. Takayama, G. Jackeli, G. Khaliullin, S.E. Nagler. Nature Rev. Phys. 1, 264 (2019)
  3. D.I. Khomskii, S.V. Streltsov. Chem. Rev. 121, 2992 (2021)
  4. S.A.J. Kimber, I.I. Mazin, J. Shen, H.O. Jeschke, S.V. Streltsov, D.N. Argyriou, R. Valenti, D.I. Khomskii. Phys. Rev. B 89, 081408 (2014)
  5. Z.V. Pchelkina, A.L. Pitman, A. Moewes, E.Z. Kurmaev, T.-Y. Tan, D.C. Peets, J.-G. Park, S.V. Streltsov. Phys. Rev. B 91, 115138 (2015)
  6. J. Park, T. Tan, D.T. Adroja, A. Daoud-Aladine, S. Choi, D. Cho, S. Lee, J. Kim, H. Sim, T. Morioka, H. Nojiri, V.V Krishnamurthy, P. Manuel, M.R. Lees, S.V. Streltsov, D.I. Khomskii, J.-G. Park. Sci. Rep. 6, 25238 (2016)
  7. I.I. Mazin, H.O. Jeschke, K. Foyevtsova, R. Valenti, D.I. Khomskii. Phys. Rev. Lett. 109, 197201 (2012)
  8. Z.V. Pchelkina, S.V. Streltsov, I.I. Mazin. Phys. Rev. B 94, 205148 (2016)
  9. S.V. Streltsov. Phys. Met. Metallogr. 119, 1276 (2018)
  10. S. Streltsov, I.I. Mazin, K. Foyevtsova. Phys. Rev. B 92, 134408 (2015)
  11. C.I. Hiley, M.R. Lees, J.M. Fisher, D. Thompsett, S. Agrestini, R.I. Smith, R.I. Walton. Angew. Chem. Int. Ed. 53, 4423 (2014)
  12. W. Tian, C. Svoboda, M. Ochi, M. Matsuda, H.B. Cao, J. Cheng, B.C. Sales, D.G. Mandrus, R. Arita, N. Trivedi, J. Yan. Phys. Rev. B 92, 100404 (2015)
  13. H. Suzuki, H. Gretarsson, H. Ishikawa, K. Ueda, Z. Yang, H. Liu, H. Kim, D. Kukusta, A. Yaresko, M. Minola, J.A. Sears, S. Francoual, H. Wille, J. Nuss, H. Takagi, B.J. Kim, G. Khaliullin, H. Yava s, B. Keimer. Nature Mater. 18, 563 (2019)
  14. Y.S. Ponosov, E.V Komleva, D.A. Zamyatin, R.I. Walton, S.V Streltsov. Phys. Rev. B 99, 85103 (2019)
  15. B.E. Prasad, S. Kanungo, M. Jansen, A.C. Komarek, B. Yan, P. Manuel, C. Felser. Chem. Eur. J. 23, 1521 (2017).
  16. W. Schnelle, B.E. Prasad, C. Felser, M. Jansen, E.V. Komleva, S.V. Streltsov, I.I. Mazin, D. Khalyavin, P. Manuel, S. Pal, D.V.S. Muthu, A.K. Sood, E.S. Klyushina, B. Lake, J.-C. Orain, H. Luetkens. Phys. Rev. B 103, 214413 (2021)
  17. W.A. Harrison. Elementary Electronic Structure. World Scientific, Singapore (1999)
  18. S.V. Streltsov, D.I. Khomskii. Phys.-Usp. 60, 1121 (2017)
  19. G. Kresse, J. Hafner. Phys. Rev. B 47558 (1993)
  20. J.P. Perdew, K. Burke, M. Ernzerhof. Phys. Rev. Lett. 77, 3865 (1996)
  21. H. Monkhorst, J. Pack. Phys.Rev. B 13, 5188 (1976)
  22. G. Kresse, D. Joubert. Phys. Rev. B 59, 1758 (1999)
  23. J.D. Bernal, E. Djatlowa, I. Kasarnowsky, S. Reichstein, A.G. Ward. Z. Kristallogr. Cryst. Mater. 92, 344--354 (1935)
  24. Y.C. Venudhar, L. Iyengar, K.V. Krishna Rao. Cryst. Res. Technol. 20, 1393 (1985)
  25. R.M. Martin. Electronic Structure: Basic Theory and Practical Methods. Cambridge University Press, Cambridge (2004)

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