Abstract
Electronic, magnetic, and optical properties of Co2MnAs full-Heusler compound have been calculated using a first-principles approach with the full-potential linearized augmented plane-wave (FP-LAPW) method and generalized gradient approximation plus U (GGA + U). The results are compared with various properties of Co2MnZ (Z = Si, Ge, Al, Ga, Sn) full-Heusler compounds. The results of our calculations show that Co2MnAs is a half-metallic ferromagnetic compound with 100% spin polarization at the Fermi level. The total magnetic moment and half-metallic gap of Co2MnAs compound are found to be 6.00μ B and 0.43 eV, respectively. It is also predicted that the spin-wave stiffness constant and Curie temperature of Co2MnAs compound are about 3.99 meV nm2 and 1109 K, respectively. The optical results show that the dominant behavior, at energy below 2 eV, is due to interactions of free electrons in the system. Interband optical transitions have been calculated based on the imaginary part of the dielectric function and analysis of critical points in the second energy derivative of the dielectric function. The results show that there is more than one plasmon energy for Co2MnAs compound, with the highest occurring at 25 eV. Also, the refractive index variations and optical reflectivity for radiation at normal incidence are calculated for Co2MnAs. Because of its high magnetic moment, high Curie temperature, and 100% spin polarization at the Fermi level as well as its optical properties, Co2MnAs is a good candidate for use in spintronic components and magnetooptical devices.
Similar content being viewed by others
References
M. Johnson and R.H. Silsbee, Phys. Rev. Lett. 55, 1790 (1985).
M.N. Baibich, J.M. Broto, A. Fert, F.N. Nguyen Van Dau, F. Petroff, P. Etienne, G. Creuzet, A. Friederich, and J. Chazelas, Phys. Rev. Lett. 61, 2472 (1988).
G. Binasch, P. Grünberg, F. Saurenbach, and W. Zinn, Phys. Rev. B 39, 4828 (1989).
J. Martin, Mater. Today 8, 362 (2014).
Y. Xu, D.D. Awschalom, and J. Nitta, Handbook of Spintronics (New York: Springer, 2016), p. 335.
R.A. De Groot, F.M. Mueller, P.G. Van Engen, and K.H.J. Buschow, Phys. Rev. Lett. 50, 2024 (1983).
T. Jungwirth, J. Sinova, J. Masek, J. Kucera, and A.H. MacDonald, Rev. Mod. Phys. 78, 809 (2006).
A. Kumar and P.C. Srivastava, J. Electron. Mater. 43, 381 (2014).
K. Bencherif, A. Yakoubi, N. Della, O.M. Abid, H. Khachai, R. Ahmed, R. Khenata, S.B. Omran, S.K. Gupta, and G. Murtaza, J. Electron. Mater. 45, 3479 (2016).
S. Ghosh and P.C. Srivastava, J. Electron. Mater. 43, 4357 (2014).
B. Amin, S. Arif, I. Ahmad, M. Maqbool, R. Ahmad, S. Goumri-Said, and K. Prisbrey, J. Electron. Mater. 40, 1428 (2011).
M. Jourdan, J. Minár, J. Braun, A. Kronenberg, S. Chadov, B. Balke, A. Gloskovskii, M. Kolbe, H. J. Elmers, G. Schönhense, and H. Ebert, Nat. Commun. 5, 4 (2014).
S. Ishida, S. Fujii, S. Kashiwagi, and S. Asano, J. Phys. Soc. Jpn. 64, 2152 (1995).
S. Ishida, T. Masaki, S. Fujii, and S. Asano, Phys. B 245, 1 (1998).
Y. Sakuraba, M. Hattori, M. Oogane, Y. Ando, H. Kato, A. Sakuma, T. Miyazaki, and H. Kubota, Appl. Phys. Lett. 88, 192508 (2006).
Y. Sakuraba, J. Nakata, M. Oogane, Y. Ando, H. Kato, A. Sakuma, T. Miyazaki, and H. Kubota, Appl. Phys. Lett. 88, 022503 (2006).
Y. Sakuraba, T. Miyakoshi, M. Oogane, Y. Ando, A. Sakuma, T. Miyazaki, and H. Kubota, Appl. Phys. Lett. 89, 052508 (2006).
S. Trudel, O. Gaier, J. Hamrle, and B. Hillebrands, J. Phys. D Appl. Phys. 43, 193001 (2010).
B. Balke, S. Ouardi, T. Graf, J. Barth, C.G. Blum, G.H. Fecher, A. Shkabko, A. Weidenkaff, and C. Felser, Solid State Commun. 150, 529 (2010).
A. Candan, G. Uğur, Z. Charifi, H. Baaziz, and M.R. Ellialtıoğlu, J. Alloys Compd. 560, 215 (2013).
P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964).
W. Kohn and L.J. Sham, Phys. Rev. A 140, 1133 (1965).
J.C. Slater, Adv. Quantum Chem. 1, 5564 (1964).
P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2 K, an Augmented Plane Wave + Local orbitals Program for Calculating Crystal Properties (Karlheinz Schwarz, Technische Universität, Wien, Austria, 2001).
V.I. Anisimov, I.V. Solovyev, M.A. Korotin, M.T. Czyzyk, and G.A. Sawatzky, Phys. Rev. B 48, 16929 (1993).
H.C. Kandpal, G.H. Fecher, and C. Felser, J. Phys. D Appl. Phys. 40, 1507 (2007).
F.D. Murnaghan, Proc. Natl. Acad. Sci. 30, 244 (1944).
P.J. Webster and K.R.A. Ziebeck, in Landolt-Bornstein, New Series, Group III, ed. H.P.J. Wijn (Berlin: Springer, 1988), p. 75.
P.J. Webster, K.R.A. Ziebeck, and K.U. Neumann, in Landolt-Bornstein, New Series, Group III, Vol. 32, ed. H.P.J. Wijn (Berlin: Springer, 2001), p. 64414.
J. Pierre, R.V. Skolozdra, J. Tobola, S. Kaprzyk, C. Hordequin, M.A. Kouacou, I. Karla, R. Currat, and E. Lelievre-Berna, J. Alloys Compd. 262, 101 (1997).
J. Toboła and J. Pierre, J. Alloys Compd. 296, 243 (2000).
E. ŞaŞioğlu, First-Principles Study of the Exchange Interactions and Curie Temperature in Heusler alloys. Ph.D. Doctoral Thesis, Mathematisch–Naturwissenschaftlich–Technischen Fakultät der Martin–Luther–Universität Halle (Wittenberg, 1975), p. 35.
J. Kübler, A.R. William, and C.B. Sommers, Phys. Rev. B 28, 1745 (1983).
R.Y. Umetsu, A. Okubo, A. Fujita, T. Kanomata, K. Ishida, and R. Kainuma, IEEE Trans. Magn. 47, 2451 (2011).
W.Q. Li, J.X. Cao, J.W. Ding, and X.H. Yan, Eur. Phys. J. B 85, 250 (2012).
I. Galanakis and Ph. Mavropoulos, J. Phys.: Condens. Matter 19, 315213 (2007).
P.J. Webster, J. Phys. Chem. Solids 32, 1221 (1971).
H.M. Huang, S.J. Luo, and K.L. Yao, Phys. B 406, 1368 (2011).
S.E. Kulkova, S.V. Eremeev, T. Kakeshita, S.S. Kulkov, and G.E. Rudenski, Mater. Trans. 47, 599 (2006).
P.J. Webster and K.R.A. Ziebeck, J. Phys. Chem. Solids 34, 1647 (1973).
H. Ido and S. Yasuda, Le Journal de Physique Colloques 49, C8-141 (1988).
P.G. Van Engen, K.H.J. Buschow, and M. Erman, J. Magn. Magn. Mater. 30, 374 (1983).
M. Kawakami, Hyperfine Interact. 51, 993 (1989).
M.M. Noskov, Optical and Magneto-optical Properties of Metals (Sverdlovsk: UNTS, 1983), p. 217.
D. Solli, R.Y. Chiao, and J.M. Hickmann, Phys. Rev. E 66, 056601 (2002).
H. Ding-An, Z. Ya-Guang, C. Wei-Cheng, D. Shao-Guang, H. Chun-Qing, Z. Chuan-Yun, and L. Pei-Ying, Commun. Theor. Phys. 55, 671 (2011).
M.M. Sarmazdeh, R.T. Mendi, A. Zelati, A. Boochani, and F. Nofeli, Int. J. Mod. Phys. B 30, 1650117 (2016).
Acknowledgement
This work was supported by the Office of the Vice President for Research at the Department of Physics, Mashhad Branch, Islamic Azad University, Mashhad, Iran.
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Bakhshayeshi, A., Sarmazdeh, M.M., Mendi, .T. et al. First-Principles Prediction of Electronic, Magnetic, and Optical Properties of Co2MnAs Full-Heusler Half-Metallic Compound. J. Electron. Mater. 46, 2196–2204 (2017). https://doi.org/10.1007/s11664-016-5158-1
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11664-016-5158-1