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A general form of Hamiltonian for vibronic Jahn-Teller systems is derived on the basis of adiabatic approximation and group theory. The electronic operators and active Jahn-Teller modes appearing in a vibronic system are also discussed. Further calculations of excited states in minima are carried out using unitary transformation method and energy minimization procedure. The results of energy splitting for an electronic triplet Jahn-Teller system are analyzed and compared with particular reference to tetrahedral and its related crystal systems. It is shown that the lift of electronic degeneracy can be quantitatively described by the decomposition of irreducible representations of related group and subgroups.
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Keywords:
- vibronic coupling /
- Jahn-Teller distortion /
- active Jahn-Teller modes /
- vibronic Hamiltonian
[1] Luo X, Martin R M 2005 Phys. Rev. B 72 035212
[2] Sartbaeva A, Wells S A, Thorpe M F 2006 Phys. Rev. Lett. 97 065501
[3] Bates C A, Dunn J L, Sigmund E 1987 J. Phys. C: Solid State Phys. 20 1965
[4] Jahn H A, Teller E 1937 Proc. R. Soc. A 161 220
[5] Hallam L D, Bates C A, Dunn J L 1992 J. Phys.: Condens. Matter 4 6775
[6] Bates C A 1978 Phys. Rep. 35 187
[7] Wu J B, Wang Z C 1991 Acta Phys. Sin. 40 1320 (in Chinese) [吴建斌、 王志成 1991 40 1320]
[8] Yin C H, Zhang L, Zhao J P, Jiao Y, Song N, Ru R P, Yang L 2006 Acta Phys. Sin. 55 6055 (in Chinese) [殷春浩、 张 雷、 赵纪平、 焦 杨、 宋 宁、 茹瑞鹏、 杨 柳 2006 55 6055]
[9] Yin C H, Jiao Y, Song N, Ru R P, Yang L, Zhang L 2006 Acta Phys. Sin. 55 5471 (in Chinese) [殷春浩、 焦 杨、 宋 宁、 茹瑞鹏、 杨 柳、 张 雷 2006 55 5471]
[10] Lü H P, Yin C H, Wei X S, Niu Y X, Song N, Ru R P 2007 Acta Phys. Sin. 56 6608 (in Chinese) [吕海萍、 殷春浩、 魏雪松、 钮应喜、 宋 宁、 茹瑞鹏 2007 56 6608]
[11] Wu W B, Huang D J, Huang C M, Hsu C H, Chang C F, Lin H J, Chen C T 2007 J. Magnetism and Magnetic Materials 310 813
[12] Rout G C, Nilima P, Behera S N 2007 Physica B: Condensed Matter 387 259
[13] Zheng G H, Ma Y Q, Zhu X B, Sun Y P 2007 Solid State Communications 142 217
[14] He L H, Zhang P L, Yan Q W 2001 Chin. Phys. 10 853
[15] Lu Y, Li Q A, Di N L, Ma X, Kou Z Q, Luo Z, Cheng Z H 2003 Chin. Phys. 12 789
[16] Al-Shaikh A M, Qiu Q C, Roura P, Ulrici W, Clerjaud B, Bates C A, Dunn J L 1998 J. Phys.: Condens. Matter 10 3367
[17] Bersuker I B, Polinger V Z 1989 Vibronic interactions in molecules and crystals (Berlin: Springer) pp6—8
[18] Griffth J S 1961 The irreducible tensor methods for molecular symmetry groups (London: Cambridge University Press) pp136—139
[19] Qiu Q C 2003 Acta Phys. Sin. 52 958 (in Chinese) [邱庆春 2003 52 958]
[20] Stevens K W H 1952 Proc. Phys. Soc. A 65 209
[21] pik U, Pryce M H L 1957 Proc. R. Soc. A 238 425
[22] Ceulemans A 1987 J. Chem. Phys. 87 5374
[23] Qiu Q C, Dunn J L, Bates C A 2001 Phys. Rev. B 64 075102
[24] Hallam L D, Dunn J L, Bates C A 1992 J. Phys: Condens. Matter 4 6797
[25] Qiu Q C, Dunn J L, Bates C A, Abou-Ghantous M, Polinger V Z 2000 Phys. Rev. B 62 16155
[26] Qiu Q C 2004 Acta Phys. Sin. 53 2292 (in Chinese) [邱庆春 2004 53 2292]
[27] Qiu Q C, Qiao F 2006 Chin. Sci. Bull. 51 2553
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[1] Luo X, Martin R M 2005 Phys. Rev. B 72 035212
[2] Sartbaeva A, Wells S A, Thorpe M F 2006 Phys. Rev. Lett. 97 065501
[3] Bates C A, Dunn J L, Sigmund E 1987 J. Phys. C: Solid State Phys. 20 1965
[4] Jahn H A, Teller E 1937 Proc. R. Soc. A 161 220
[5] Hallam L D, Bates C A, Dunn J L 1992 J. Phys.: Condens. Matter 4 6775
[6] Bates C A 1978 Phys. Rep. 35 187
[7] Wu J B, Wang Z C 1991 Acta Phys. Sin. 40 1320 (in Chinese) [吴建斌、 王志成 1991 40 1320]
[8] Yin C H, Zhang L, Zhao J P, Jiao Y, Song N, Ru R P, Yang L 2006 Acta Phys. Sin. 55 6055 (in Chinese) [殷春浩、 张 雷、 赵纪平、 焦 杨、 宋 宁、 茹瑞鹏、 杨 柳 2006 55 6055]
[9] Yin C H, Jiao Y, Song N, Ru R P, Yang L, Zhang L 2006 Acta Phys. Sin. 55 5471 (in Chinese) [殷春浩、 焦 杨、 宋 宁、 茹瑞鹏、 杨 柳、 张 雷 2006 55 5471]
[10] Lü H P, Yin C H, Wei X S, Niu Y X, Song N, Ru R P 2007 Acta Phys. Sin. 56 6608 (in Chinese) [吕海萍、 殷春浩、 魏雪松、 钮应喜、 宋 宁、 茹瑞鹏 2007 56 6608]
[11] Wu W B, Huang D J, Huang C M, Hsu C H, Chang C F, Lin H J, Chen C T 2007 J. Magnetism and Magnetic Materials 310 813
[12] Rout G C, Nilima P, Behera S N 2007 Physica B: Condensed Matter 387 259
[13] Zheng G H, Ma Y Q, Zhu X B, Sun Y P 2007 Solid State Communications 142 217
[14] He L H, Zhang P L, Yan Q W 2001 Chin. Phys. 10 853
[15] Lu Y, Li Q A, Di N L, Ma X, Kou Z Q, Luo Z, Cheng Z H 2003 Chin. Phys. 12 789
[16] Al-Shaikh A M, Qiu Q C, Roura P, Ulrici W, Clerjaud B, Bates C A, Dunn J L 1998 J. Phys.: Condens. Matter 10 3367
[17] Bersuker I B, Polinger V Z 1989 Vibronic interactions in molecules and crystals (Berlin: Springer) pp6—8
[18] Griffth J S 1961 The irreducible tensor methods for molecular symmetry groups (London: Cambridge University Press) pp136—139
[19] Qiu Q C 2003 Acta Phys. Sin. 52 958 (in Chinese) [邱庆春 2003 52 958]
[20] Stevens K W H 1952 Proc. Phys. Soc. A 65 209
[21] pik U, Pryce M H L 1957 Proc. R. Soc. A 238 425
[22] Ceulemans A 1987 J. Chem. Phys. 87 5374
[23] Qiu Q C, Dunn J L, Bates C A 2001 Phys. Rev. B 64 075102
[24] Hallam L D, Dunn J L, Bates C A 1992 J. Phys: Condens. Matter 4 6797
[25] Qiu Q C, Dunn J L, Bates C A, Abou-Ghantous M, Polinger V Z 2000 Phys. Rev. B 62 16155
[26] Qiu Q C 2004 Acta Phys. Sin. 53 2292 (in Chinese) [邱庆春 2004 53 2292]
[27] Qiu Q C, Qiao F 2006 Chin. Sci. Bull. 51 2553
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