Abstract
We have investigated the electronic structure and half-metallic ferromagnetism of Sr1−x Cr x Z (Z = S, Se, and Te) in rock-salt structure at concentrations x (x = 0.125, 0.25, 0.5, 0.75 and 0.875) of Cr, using first-principles calculations of density functional theory. The electronic and magnetic properties show that Sr1−x Cr x Z (Z = S and Se) at x = 0.125, 0.25, 0.5, 0.75 and Sr1−x Cr x Te at all concentrations are half-metallic ferromagnets (HMF) with spin polarization of 100% and total magnetic moments of 4μ B per Cr atom, whereas the HMF character destroyed for Sr1−x Cr x Z (Z = S and Se) at x = 0.875. The integrals Bohr magneton of total magnetic moments confirm the half-metallic ferromagnetic behavior of Sr1−x Cr x Z. We have found that the ferromagnetic state is stable by the 3d-eg (Cr) partially filled states associated with the double-exchange mechanism. Therefore, the Sr1−x Cr x S, Sr1−x Cr x Se, and Sr1−x Cr x Te at low concentration are predicted to be new potential candidates for spintronic applications.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
H. Ohno, Science 281, 951 (1998)
S.A. Wolf, D.D. Awschalom, R.A. Buhrman, J.M. Daughton, S. von Molnár, M.L. Roukes, A.Y. Chtchelkanova, D.M. Treger, Science 294, 1488 (2001)
I. Žutiæ, J. Fabian, S.D. Sarma, Rev. Mod. Phys. 76, 323 (2004)
U.P. Verma, N. Devi, S. Sharma, P. Jensen, Eur. Phys. J. B 81, 381 (2011)
Y. Huang, W. Jie, G. Zha, J. Alloys Compd. 539, 271 (2012)
S.M. Alay-e-Abbas, K.M. Wong, N.A. Noor, A. Shaukat, Y. Lei, Solid State Sci. 14, 1525 (2012)
B. Doumi, A. Tadjer, F. Dahmane, D. Mesri, H. Aourag, J. Supercond. Nov. Magn. 26, 515 (2013)
Z.K. Tang, D.Y. Zhang, L.M. Tang, L.L. Wang, K.Q. Chen, Eur. Phys. J. B 86, 284 (2013)
J.P. Tang, L.L. Wang, W.Z. Xiao, X.F. Li, Eur. Phys. J. B 86, 362 (2013)
X. Dong, Q. Li, M. Xu, Eur. Phys. J. B 86, 465 (2013)
M. Sajjad, H.X. Zhang, N.A. Noor, S.M. Alay-e-Abbas, A. Shaukat, Q. Mahmood, J. Magn. Magn. Mater. 343, 177 (2013)
Z.Z. Wan, X.L. Wan, J.P. Liu, Q.B. Wang, J. Supercond. Nov. Magn. 27, 1945 (2014)
M. Sajjad, H.X. Zhang, N.A. Noor, S.M. Alay-e-Abbas, M. Younas, M. Abid, A. Shaukat, J. Supercond. Nov. Magn. 27, 2327 (2014)
L. Arda, M. Açıkgöz, A. Güngör, J. Supercond. Nov. Magn. 25, 2701 (2012)
J. Singh, N.K. Verma, J. Supercond. Nov. Magn. 25, 2425 (2012)
R.P. Borges, B. Ribeiro, M.M. Cruz, M. Godinho, U. Wahl, R.C. da Silva, A.P. Gonçalves, C. Magén, Eur. Phys. J. B 86, 254 (2013)
F. Wang, W.W. Huang, S.Y. Li, A. Lian, X.T. Zhang, W. Cao, J. Magn. Magn. Mater. 340, 5 (2013)
J. Singh, S. Kumar, N.K. Verma, Mater. Sci. Semicond. Proc. 26, 1 (2014)
B. Babu, T. Aswani, G.T. Rao, R.J. Stella, B. Jayaraja, R.V.S.S.N. Ravikumar, J. Magn. Magn. Mater. 355, 76 (2014)
B. Doumi, A. Tadjer, F. Dahmane, A. Djedid, A. Yakoubi, Y. Barkat, M. Ould Kada, A. Sayede, L. Hamada, J. Supercond. Nov. Magn. 27, 293 (2014)
M. Kaminska, A. Twardowski, D. Wasik, J. Mater. Sci., Mater. Electron. 19, 828 (2008)
A.L. Ruoff, T.A. Grzybowski, in Solid State Physics Under Pressure, edited by S. Minomura (Terra Scientific, Tokyo, 1985)
M. Dadsetani, A. Pourghazi, Phys. Rev. B 73, 195102 (2006)
Y. Cheng, L.Y. Lu, O.H. Jia, X.R. Chen, Chin. Phys. B 17, 1355 (2008)
L.Y. Lu, J.J. Tan, O.H. Jia, X.R. Chen, Physica B 399, 66 (2007)
R. Pandey, S. Sivaraman, J. Phys. Chem. Solids 52, 211 (1991)
N. Yamashita, T. Ohira, J. Phys. Soc. Jpn 53, 419 (1984)
D. Varshney, N. Kaurav, R. Kinge, R.K. Singh, Comp. Mater. Sci. 41, 529 (2008)
M. Yogeswari, G. Kalpana, Comp. Mater. Sci. 54, 219 (2012)
M. Yogeswari, R. Umamageshwari, G. Kalpana, Comp. Mater. Sci. 65, 426 (2012)
M. Yogeswari, G. Kalpana, J. Alloys Compd. 573, 83 (2013)
Z. Wu, R.E. Cohen, Phys. Rev. B 73, 235116 (2006)
P. Hohenberg, W. Kohn, Phys. Rev. 136, B864 (1964)
W. Kohn, L.J. Sham, Phys. Rev. 140, A1133 (1965)
P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, J. Luitz, WIEN2K Vienna University of Technology, Austria (2001)
K. Syassen, Phys. Stat. Sol. A 91, 11 (1985)
H. Luo, R.G. Greene, A.L. Ruoff, Phys. Rev. B 49, 15341 (1994)
H.G. Zimmer, H. Winzen, K. Syassen, Phys. Rev. B 32, 4066 (1985)
H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13, 5188 (1976)
J.D. Pack, H.J. Monkhorst, Phys. Rev. B 16, 1748 (1977)
F.D. Muranghan, Proc. Natl. Acad. Sci. USA 30, 244 (1944)
M. Souadkia, B. Bennecer, F. Kalarasse, A. Mellouki, Comput. Mater. Sci. 50, 1701 (2011)
S. Labidi, H. Meradji, S. Ghemid, M. Labidi, F. El Haj Hassan, J. Phys.: Condens. Matter 20, 445213 (2008)
J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
S. Sharma, A.S. Verma, R. Bhandari, S. Kumari, V.K. Jindal, Mater. Sci. Semicond. Proc. 27, 79 (2014)
M. Sajjad, S. Manzoor, H.X. Zhang, N.A. Noor, S.M. Alay-e-Abbas, A. Shaukat, R. Khenata, J. Magn. Magn. Mater. 379, 63 (2015)
B. Doumi, A. Mokaddem, M. Ishak-Boushaki, D. Bensaid, Mater. Sci. Semicond. Proc. 32, 166 (2015)
K.L. Yao, G.Y. Gao, Z.L. Liu, L. Zhu, Solid State Commun. 133, 301 (2005)
G.Y. Gao, K.L. Yao, E. Şaşıoğlu, L.M. Sandratskii, Z.L. Liu, J.L. Jiang, Phys. Rev. B 75, 174442 (2007)
H. Akai, Phys. Rev. Lett. 81, 3002 (1998)
K. Sato, H. Katayama-Yoshida, Semicond. Sci. Technol. 17, 367 (2002)
K. Sato, P.H. Dederichs, K. Araki, H. Katayama-Yoshida, Phys. Stat. Sol. C 7, 2855 (2003)
K. Sato, H. Katayama-Yoshida, P.H. Dederichs, J. Supercond. 16, 31 (2003)
S. Sanvito, P. Ordejon, N.A. Hill, Phys. Rev. B 63, 165206 (2001)
H. Raebiger, A. Ayuela, R.M. Nieminen, J. Phys.: Condens. Matter 16, L457 (2004)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Doumi, B., Mokaddem, A., Temimi, L. et al. First-principle investigation of half-metallic ferromagnetism in octahedrally bonded Cr-doped rock-salt SrS, SrSe, and SrTe. Eur. Phys. J. B 88, 93 (2015). https://doi.org/10.1140/epjb/e2015-50746-9
Received:
Revised:
Published:
DOI: https://doi.org/10.1140/epjb/e2015-50746-9