Effect of Pressure on the Optical Properties of Cubic-BaF2 Scintillator Crystal: A First-Principles Investigation Using the Modified Becke–Johnson Potential

Journal of Electronic Materials - Tập 46 Số 1 - Trang 233-240 - 2017
M. R. Benam1, M. Majidiyan Sarmazdeh1, F. Fooladchang1
1Department of Physics, Payame Noor University, P.O. Box 19395-3697, Tehran, Iran

Tóm tắt

Từ khóa


Tài liệu tham khảo

H. Shi, Y. Wang, R. Jia, and R.I. Eglitis, Comput. Mater. Sci. 50, 3101 (2011).

K. Kawano, T. Ohya, T. Tsurumi, K. Katoh, and R. Nakata, Phys. Rev. B 60, 11984 (1999).

V. Nanal, B.B. Back, and D.J. Hofman, Nuclear Instrum. Methods Phys. Res. A 389, 430 (1997).

C. Shi, Z. Xie, J. Deng, Y. Dong, X. Yang, Y. Hu, Y. Tian, Y. Kan, and G. Chen, J. Electron Spectrosc. Relat. Phenom. 79, 87 (1996).

A.A. Demidenko, E.A. Garibin, S.D. Gain, YuI Gusev, P.P. Fedorov, I.A. Mironov, and S.B. Michrin, Opt. Mater. 32, 1291 (2010).

P. Dorenbos, R. Visser, R.W. Hollander, C.W.E. Van Eijk, and H.W. Den Hartog, Radiat. Eff. Defects Solids 119, 87 (1991).

X. Yang, A. Hao, X. Wang, X. Liu, and Y. Zhu, Comput. Mater. Sci. 49, 530 (2010).

G.A. Samara, Phys. Rev. B 2, 4194 (1970).

J.M. Leger, J. Haines, A. Atouf, O. Schulte, and S. Hull, Phys. Rev. B 52, 13247 (1995).

A.P. Ayala, J. Phys.: Condens. Matter 13, 11741 (2001).

S.M. Dorfman, F. Jiang, Z. Mao, A. Kubo, Y. Meng, V.B. Prakapenka, and T.S. Duffy, Phys. Rev. B 81, 174121 (2010).

V. Kanchana, G. Vaitheeswaran, and M. Rajagopalan, J. Alloy. Compd. 359, 66 (2003).

M. Jibran, G. Murtaza, M.A. Khan, R. Khenata, S. Muhmmad, and R. Ali, Comput. Mater. Sci. 81, 575 (2014).

R. Khenata, B. Daoudi, M. Sahnoun, H. Baltache, M. Rérat, A.H. Reshak, B. Bouhafs, H. Abid, and M. Driz, Eur. Phys. J. B-Condens. Matter Complex Syst. 47, 63 (2005).

F. Fooladchang, M. Majidiyan Sarmazdeh, M.R. Benam, and H. Arabshahi, Phys. B 427, 47 (2013).

W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).

P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2 k, An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (Vienna: Vienna University of Technology, 2001).

F. Tran and P. Blaha, Phys. Res. Lab. 102, 226401 (2009).

J.A. Camargo-Martinez and R. Baquero, Rev. Mex. Fis. 59, 453 (2013).

R.W.G. Wyckoff, Cryst. Struct. 1, 7 (1963).

R.L. Kronig, J. Opt. Soc. Am. 12, 547 (1926).

C. Ambrosch-Draxl and J.O. Sofo, Comput. Phys. Commun. 175, 1 (2006).

F. Birch, Phys. Rev. 71, 809 (1947).

R.F. Egerton, Electron Energy-Loss Spectroscopy in the Electron Microscope, 3rd ed. (Springer, New York, 2011).

G.W. Rubloff, Phys. Rev. B 5, 662 (1972).

J. Frandon, B. Lahaye, and F. Pradal, Phys. Status Solidi B 53, 565 (1972).

M. Scrocco, Phys. Rev. B 32, 1301 (1985).