Zero-field splitting parameters and local structures for tetragonal Cr2+ centers in Cr2+-doped ZnSe semiconductors

doi:10.1088/1674-1056/23/11/117104

Abstract The inter-relation between zero-field splitting (ZFS) parameters and local lattice structures of the (CrSe₄)^6- clusters in ZnSe semiconductors has been established by using the complete diagonalization (of the energy matrix) method. On the basis of this, the local lattice distortions, the ZFS parameters D, a, F and the optical spectrum for Cr²⁺ ions doped into ZnSe are theoretically investigated, and the contributions of the spin singlets have been taken into account. The calculated ZFS parameters are in good agreement with the experimental values. From our calculations, the tetragonal distortion parameters ΔR = 0.091Å and Δθ = 4.28°of Cr²⁺ in ZnSe are acquired, and the results suggest that there exists a tetragonal expansion distortion for the local lattice structure of (CrSe₄)^6- clusters in ZnSe crystals. The influence of the spin singlets on ZFS parameters is also discussed, indicating that the contributions to ZFS parameters a and F cannot be ignored.

Keywords: zero-field splitting parameters optical spectroscopy local lattice structure Cr²⁺-doped ZnSe complex system

Received: 03 January 2014
Revised: 12 June 2014
Accepted manuscript online:

PACS:	71.70.Ch	(Crystal and ligand fields)
	76.30.Fc	(Iron group (3d) ions and impurities (Ti-Cu))
	75.10.Dg	(Crystal-field theory and spin Hamiltonians)
	78.55.Et	(II-VI semiconductors)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11274235 and 11104190) and the Doctoral Education Fund of Education Ministry of China (Grant No. 20110181120112).

Corresponding Authors: Kuang Xiao-Yu
E-mail: scu_kxy@163.com

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Lu Ting-Ting (卢婷婷), Kuang Xiao-Yu (邝小渝), Li Hui (李辉), Li Hong-Hong (李洪洪), Wu Zhi-Yan (武志燕), Mao Ai-Jie (毛爱杰) Zero-field splitting parameters and local structures for tetragonal Cr²⁺ centers in Cr²⁺-doped ZnSe semiconductors 2014 Chin. Phys. B 23 117104

[1]	Sorokina I T 2004 Opt. Mater. 26 395
[2]	Mirov S, Fedorov V, Moskalev I, Mirov M and Martyshkin D 2013 J. Lumin. 133 268
[3]	Kim C, Martyshkin D V, Fedorov V V and Mirov S B 2009 Opt. Commun. 282 2049
[4]	Hommerich U, Jones I K, Nyein E E and Trivedi S B 2006 J. Cryst. Growth 287 450
[5]	Feng G Y, Yang C and Zhou S H 2013 Nano Lett. 13 272
[6]	Kuck S 2002 J. Alloy. Compd. 341 28
[7]	Vivet N, Morales M, Levalois M, Portier X and Doualan J L 2008 Mater. Sci. Eng. B 146 236
[8]	Colignon D, Kartheuser E, Rodriguez S and Villeret M 1996 J. Cryst. Growth 159 875
[9]	Vivet N, Doualan J L, Morales M and Levalois M 2010 J. Lumin. 130 1449
[10]	Mirov S, Fedorov V, Moskalev I, Martyshkin D and Kim C 2010 Laser Photon. Rev. 4 21
[11]	Nitsuk Yu A 2013 Semiconductors 47 736
[12]	Tan X M and Zhou K W 2014 Mater. Sci. Eng. B 183 34
[13]	Gao M L, Kuang X Y, Zhao Y R, Qi L and Li Y F 2009 Chin. Phys. Lett. 26 057102
[14]	Li J F and Kuang X Y 2011 Chin. Phys. Lett. 28 067105
[15]	Yang Z Y 2011 Chin. Phys. B 20 097601
[16]	Vallin J T and Watkins G D 1974 Phys. Rev. B 9 2051
[17]	Vallin J T, Slack G A, Roberts S and Hughes A E 1969 Solid State Commun. 7 1211
[18]	Zhou Y Y and Li F Z 1998 J. Phys. Chem. Solids 59 1105
[19]	Wyckoff R W G 1951 Cryst. Structures (New York: Interscience)
[20]	Kaufmann U 1976 Phys. Rev. B 14 1848
[21]	Griffith J S 1964 The Theory of Transition Metal Ions (London: Cambridge University Press)
[22]	Tan X M, Kuang X Y, Zhou K W, Lu C and Zhu Q S 2006 J. Phys.: Condens. Matter 18 1705
[23]	Zhao M G and Xie L H 2000 Mater. Sci. Eng. B 75 72
[24]	Grebe G, Roussos G and Schulz H J 1976 J. Phys. C: Solid State Phys. 9 4511
[25]	Zhou Z M, Xu Y, Wang Z M and Jia H D 2002 Concise Inorganic Chemistry (Zhengzhou: Zhengzhou University Press)
[26]	Rudowicz C, Du M L, Yeung Y Y and Zhou Y Y 1993 Physica B 191 323

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Zero-field splitting parameters and local structures for tetragonal Cr2+ centers in Cr2+-doped ZnSe semiconductors

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Zero-field splitting parameters and local structures for tetragonal Cr²⁺ centers in Cr²⁺-doped ZnSe semiconductors