Abstract
The electronic, magnetic, and optical properties of TbN and ErN nanolayers in the presence of spin orbit coupling using density functional theory using the WIEN2k package are investigated. The stable phase of TbN and ErN bulk using generalized gradient approximation (GGA) approach is studied. The total and partial electron density of states of ErN and TbN nanolayers with two different thicknesses in ferromagnetic phase within GGA and Engel–Vosko GGA (GGA_EV) approaches is calculated. The total and local magnetic moments of these nanolayers are studied. The calculated magnetic moment at Er atomic position of ErN nanolayer is larger than the corresponding value at Tb atomic position of TbN nanolayer. Furthermore, the real and imaginary parts of the dielectric function and the reflectivity and absorption spectra of these nanolayers within GGA_EV approach are studied.
Similar content being viewed by others
References
Blaha, P., Schwarz, K., Luitz, J.J.: WIEN97, a full potential linearized augmented plane wave package for calculating crystal properties. Karlheinz Schwarz, Techn. Universitat Wien, Austria (1999). ISBN 3-9501031-0-4
Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 77, 3865 (1996)
Engel, E., Vosko, S.H.: Phys. Rev. B 50, 10498 (1994)
Busch, G.: J. Appl. Phys. 38(1967), 1386 (1967)
Ciftci, Y.O., Ozayman, M., Surucu, G., Colakoglu, K., Deligoz, E.: Solid State Sci. 14, 401 (2012)
von Ranke, P.J., Alvarenga, T.S.T., Nóbrega, E.P., Alho, B.P., Ribeiro, P.O., Magnus, A., Carvalho, G., De Sousa, V.S.R., Caldas, A., De Oliveira, N.A.: J. Magn. Magn. Mater. 341, 138 (2013)
Duan, C-G., Sabirianaw, R.F., Mei, W.N., Dowben, P.A., Jaswal, S.S., Tsymbal, E.Y.: J. Phys. Condens. Matter 19, 315220 (2007)
Puthukov, A.G., Lambrecht, W.R.L., Segall, B.: Phys. Rev. B 53, 4324 (1996)
De, M., De, S.K.: J. Phys. Chem. Sol. 60, 337 (1999)
Seng, Q.G., Cooper, B.R., Lim, S.P.: J. Appl. Phys. 73, 5409 (1993)
Freeman, A.J., Darby, J.B.: The actinides electronic structure and related properties, vol I, New York (1974)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Nourbakhsh, M., Vaez, A. First Principles Study of Electronic, Magnetic, and Optical Properties of TbN and ErN Nanolayers. J Supercond Nov Magn 28, 949–954 (2015). https://doi.org/10.1007/s10948-014-2695-9
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10948-014-2695-9