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Quantum-chemical modeling of the electronic structure and magnetic properties of Sn1 − x − y M x Sb y O2, M = Cr, Mn, Co, or Ni (x = 0.25; y = 0, 0.25)

  • Defects and Impurity Centers, Dislocations, and Physics of Strength
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Abstract

The electronic and magnetic structures of the Sn0.75 M 0.25O2 and Sn0.5 M 0.25Sb0.25O2 (M = Cr, Mn, Co, Ni) compounds with a structure that is derivative of the rutile structure are modeled using the ab initio spin-polarized tight-binding linear muffin-tin orbital (TB-LMTO) method. The magnetic moments of the transition metal atoms are calculated. The data obtained are used to analyze the influence of the composition of Sn1 − x − y M x Sb y O2 phases on their electronic spectra and the magnetic and transport characteristics.

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References

  1. Physicochemical Properties of Oxides: A Reference Book, Ed. by G. V. Samsonov (Metallurgiya, Moscow, 1978), p. 472 [in Russian].

    Google Scholar 

  2. P. Kofstad, Nonstoichiometry, Diffusion, and Electrical Conductivity in Binary Metal Oxides (Wiley, New York, 1972; Mir, Moscow, 1975).

    Google Scholar 

  3. W. Gopel, Sens. Actuators, B 16, 167 (1989).

    Article  Google Scholar 

  4. S. I. Rembeza, T. V. Svistov, E. S. Rembeza, and O. I. Borsyakova, Fiz. Tekh. Poluprovodn. (St. Petersburg) 35(7), 796 (2001) [Semiconductors 35 (7), 762 (2001)].

    Google Scholar 

  5. A. N. Men’, Yu. P. Vorob’ev, and G. I. Chufarov, Physicochemical Properties of Nonstoichiometric Oxides (Khimiya, Leningrad, 1973) [in Russian].

    Google Scholar 

  6. J. Rudolph, Tech. Wiss. Abh. Osram-Ges. 2, 86 (1963).

    Google Scholar 

  7. E. Shanthi, V. Dutta, A. Banerjee, and K. L. Chopra, J. Appl. Phys. 51, 6243 (1980).

    Article  ADS  Google Scholar 

  8. S. W. Lee, Y. W. Kim, and H. Chen, Appl. Phys. Lett. 78, 350 (2001).

    Article  ADS  Google Scholar 

  9. C. Terrier, J. P. Chatelon, R. Berjoan, and J. A. Roger, Thin Solid Films 263, 37 (1995).

    Article  Google Scholar 

  10. D. Jousse, Phys. Rev. B: Condens. Matter 31, 5335 (1985).

    ADS  Google Scholar 

  11. T. Niitz and M. Haase, J. Phys. Chem. B 104, 8430 (2000).

    Article  Google Scholar 

  12. W. Liu, X. Cao, Y. Zhu, and L. Cao, Sens. Actuators, B 66, 219 (2000).

    Article  Google Scholar 

  13. D. Dobler, S. Oswald, and K. Wetzig, Anal. Bioanal. Chem. 374, 646 (2002).

    Article  Google Scholar 

  14. J. M. D. Coey, A. P. Douvalis, C. B. Fitzgerald, and M. Venkatesan, Appl. Phys. Lett. 84, 1332 (2004).

    Article  ADS  Google Scholar 

  15. A. Punnoose and J. Hays, J. Appl. Phys. 97, 10D321 (2005).

    Article  Google Scholar 

  16. N. H. Hong, J. Sakai, W. Prellier, and A. Hassini, J. Phys.: Condens. Matter 17, 1697 (2005).

    Article  ADS  Google Scholar 

  17. V. A. Govorov, A. M. Abakumov, M. G. Rozova, A. G. Borzenko, S. Yu. Vassiliev, V. M. Mazin, M. I. Afanasov, P. B. Fabritchnyi, G. A. Tsirlina, and E. V. Antipov, Chem. Mater. 17, 3004 (2005).

    Article  Google Scholar 

  18. K. C Mishra, K. H. Johnson, and P. C. Schmidt, Phys. Rev. B: Condens. Matter 51, 13972 (1995).

    ADS  Google Scholar 

  19. A. R. West, Solid State Chemistry and Its Applications (Wiley, New York, 1984; Mir, Moscow, 1988), Part 2.

    Google Scholar 

  20. O.-K. Andersen, Z. Pawlowska, and O. Jepsen, Phys. Rev. B: Condens. Matter 34, 5253 (1986).

    ADS  Google Scholar 

  21. O.-K. Andersen, O. Jepsen, and M. Sob, in Electronic Band Structure and Its Applications, Ed. by M. Yussouf (Springer-Verlag, Berlin, 1987), pp. 1–57.

    Chapter  Google Scholar 

  22. M. A. Korotin, V. I. Anisimov, D. I. Khomskii, and G. A. Sawatzky, Phys. Rev. Lett. 80, 4305 (1998).

    Article  ADS  Google Scholar 

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Authors and Affiliations

  1. Institute of Solid-State Chemistry, Ural Division, Russian Academy of Sciences, Pervomaĭskaya ul. 91, Yekaterinburg, 620041, Russia

    V. M. Zaĭnullina

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  1. V. M. Zaĭnullina
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Correspondence to V. M. Zaĭnullina.

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Original Russian Text © V.M. Zaĭnullina, 2008, published in Fizika Tverdogo Tela, 2008, Vol. 50, No. 7, pp. 1200–1205.

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Zaĭnullina, V.M. Quantum-chemical modeling of the electronic structure and magnetic properties of Sn1 − x − y M x Sb y O2, M = Cr, Mn, Co, or Ni (x = 0.25; y = 0, 0.25). Phys. Solid State 50, 1250–1255 (2008). https://doi.org/10.1134/S106378340807010X

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  • DOI: https://doi.org/10.1134/S106378340807010X

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