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First-Principles Study on the Half-Metallic Ferromagnetism and Optical Properties of Fe-Doped CdSe and Co-Doped CdSe

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Abstract

The structural, electronic, magnetic, and optical properties of Fe-doped and Co-doped zinc-blende (ZB) CdSe compounds were calculated and discussed in detail. The Fe-doped CdSe and Co-doped CdSe are found half-metallic ferromagnet with 100 % carrier spin polarization at the Fermi level. The net magnetic moment of 4 μ B and 3 μ B are found per supercell, respectively. The estimated Curie temperature of Fe-doped CdSe and Co-doped CdSe are predicted to be 344 and 210 K, one of which is higher than room temperature. The dielectric functions and the absorption coefficients are studied from the ground electronic states. The impurity states of Fe- and Co-dopants induced strong absorption in the UV-light range and visible region. Overall, Fe-doped CdSe and Co-doped CdSe in the ZB phase show half-metallic ferromagnetic nature and are expected to be potential materials for spintronic devices and optical devices.

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References

  1. Ohno, H.: Science 281, 951 (1998)

    Article  ADS  Google Scholar 

  2. Matsumoto, Y., Murakami, M., Shono, T., Hasegawa, T., Fukumura, T., Kawasaki, M., Ahmet, P., Chikyow, T., Koshihara, S., Koinumaal, H.: Science 291, 854 (2001)

    Article  ADS  Google Scholar 

  3. Das, G. P., Pao, B. K., Jena, P.: Phys. Rev. B 69, 214422 (2004)

    Article  ADS  Google Scholar 

  4. Munekata, H., Ohno, H., Von Molnar, S., Segmüller, A., Chang, L. L., Esaki, L.: Phys. Rev. Lett. 63, 1849 (1989)

    Article  ADS  Google Scholar 

  5. Ohno, H., Shen, A., Matsukura, F., Oiwa, A., Endo, A., Katsumoto, S., Lye, Y.: Appl. Phys. Lett. 69, 363 (1996)

    Article  ADS  Google Scholar 

  6. Amin, B., Arif, S., Ahmad, I., Maqbool, M., Ahmad, R., Said, S. G., Prisbrey, K.: J. Electron. Mater. 40(6) (2011). doi:10.1007/s11664-011-1539-7

  7. Arif, S., Ahmad, I., Amin, B.: Int. J. Quant. Chem. (2011). doi:10.1002/qua.23062

    Google Scholar 

  8. Ronning, C., Gao, P.X., Dind, Y., Wang, Z.L., Schwen, D.: Appl. Phys. Lett. 84, 783 (2004)

    Article  ADS  Google Scholar 

  9. Kittel, C.: Introduction to Solid State Physics, 8th edn. Wiley, New York (2005)

    MATH  Google Scholar 

  10. Hanif, K. M., Meulenberg, R. W., Strouse, G. F.: J. Am. Soc. 124, 11495 (2002)

    Article  Google Scholar 

  11. Orlowski, B. A., Kowalski, B. J., Chab, V.: Phys. Scr. 41, 989 (1990)

    Article  ADS  Google Scholar 

  12. Zakharov, O., Rubio, A., Cohen, M.: Phys. Rev. B 51, 4926 (1995)

    Article  ADS  Google Scholar 

  13. Zhang, J. K., Deng, S. H., Jin, H., Liu, Y. L.: Acta Phys. Sin. 56, 5371 (2007)

    Google Scholar 

  14. Zhao, Z. Y., Liu, Q. J., Zhang, J., Zhu, Z. Q.: Acta Phys. Sin. 56, 6592 (2007)

    Google Scholar 

  15. Ahmadian, F., Makaremi, N.: Solid State Commun. 152, 1660 (2012)

    Article  ADS  Google Scholar 

  16. Segall, M.D., Lindan, P.J.D., Probert, M.J., Pickard, C.J., Hasnip, P.J., Clark, S.J., Payne, M.C.: J. Phys. Condens. Matter 14, 2717 (2002)

    Article  ADS  Google Scholar 

  17. Vanderbilt, D.: Phys. Rev. B 41, 7892 (1990)

    Article  ADS  Google Scholar 

  18. Perdew, J.P., Ruzsinszky, A., Csonka, G.I., Vydrow, O.A., Scuseria, G.E., Constantin, L.A., Zhou, X., Burke, K.: Phys. Rev. Lett. 100, 136406 (2008)

    Article  ADS  Google Scholar 

  19. Ropo, M., Kokko, K., Vitos, L.: Phys. Rev. B 77, 195445 (2008)

    Article  ADS  Google Scholar 

  20. He, L.H., Liu, F., Hautier, G., Oliveira, M.J.T., Marques, M.A.L., Vila, F.D., Rehr, J.J., Rignanese, G.M., Zhou, A.H.: Phys. Rev. B 89, 064305 (2014)

    Article  ADS  Google Scholar 

  21. Monkhorst, H.J., Pack, J.D.: Phys. Rev. B 13, 5188 (1976)

    Article  ADS  MathSciNet  Google Scholar 

  22. Fische, T.H., Almlof, J.: J. Phys. Chem. 96, 9768 (1992)

    Article  Google Scholar 

  23. Benkabou, F., Aourag, H., Certier, M.: Mater. Chem. Phys. 66, 10 (2000)

    Article  Google Scholar 

  24. Arif, S., Amin, B., Ahmad, I., Maqbool, M., Ahmad, R., Haneef, M., Ikram, N.: Curr. Appl. Phys. 12, 184 (2012)

    Article  ADS  Google Scholar 

  25. Passler, R.: Phys. Status Solid B 216, 975 (1999)

    Article  ADS  Google Scholar 

  26. Xiao, H., Kheli, J.T., Goddard, W.A.: J. Phys. Chem. Lett. 2, 212 (2011)

    Article  Google Scholar 

  27. Streetman, B. G., Banerjee, S.: Solid State Electronic Devices, 5th edn. Prentice Hall, New Jersey (2000). ISBN 0-13-025538-6

    Google Scholar 

  28. Amin, B., Ahmas, I.: J. Appl. Phys. 106, 093710 (2009)

    Article  ADS  Google Scholar 

  29. Amin, B., Ahmad, I., Maqbool, M., Goumri-Said, S., Ahmad, R.: J. Appl. Phys. 109, 023109 (2011)

    Article  ADS  Google Scholar 

  30. Tsafack, T., Piccinini, E., Lee, B.S., Pop, E., Rudan, M.: J. Appl. Phys. 110, 063716 (2011)

    Article  ADS  Google Scholar 

  31. Murtaza, G., Ahmad, I.: Physica B 406, 3222 (2011)

    Article  ADS  Google Scholar 

  32. Soleimanpour, S., Kanjouri, F.: Physica B 432, 16 (2014)

    Article  ADS  Google Scholar 

  33. Burstein, E.: Phys. Rev. 93, 632 (1954)

    Article  ADS  Google Scholar 

  34. Moss, T.S.: Proc. Phys. Soc. B 67, 775 (1954)

    Article  ADS  Google Scholar 

  35. Harb, M., Masih, D., Takanabe, K.: Phys. Chem. Chem. Phys. 16, 18198 (2014)

    Article  Google Scholar 

Download references

Acknowledgments

The authors would like to thank the supports by the National Natural Science Foundation of China under Grant Nos. 11164013, 11464027, and 51562021 the National Natural Science Foundation of Gansu Province under Grant Nos. 148RJZA027, the Colleges and Universities Scientific Research Program of Gansu Province under Grant Nos. 2015B-040 and 2015B-048, and the Young Scholars Science Foundation of Lanzhou Jiaotong University under Grant No. 2014022.

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Authors and Affiliations

  1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, 610065, China

    J. H. Tian & G. Jiang

  2. School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou, 730070, China

    J. H. Tian, T. Song, X. W. Sun & T. Wang

  3. The Key Laboratory of High Energy Density Physics and Technology, Ministry of Education, Chengdu, 610065, China

    G. Jiang

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  1. J. H. Tian
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  2. T. Song
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Correspondence to G. Jiang.

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Tian, J.H., Song, T., Sun, X.W. et al. First-Principles Study on the Half-Metallic Ferromagnetism and Optical Properties of Fe-Doped CdSe and Co-Doped CdSe. J Supercond Nov Magn 30, 521–528 (2017). https://doi.org/10.1007/s10948-016-3691-z

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  • DOI: https://doi.org/10.1007/s10948-016-3691-z

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