在群论框架下电子三重态与声子耦合的理论研究

冯胜奇; 方海; 邱庆春

doi:10.7498/aps.60.017105

摘要

本文基于绝热近似和群论导出了电声耦合系统的哈密顿量的一般形式,讨论了电声耦合系统中的电子算符和活跃的声子模式. 应用幺正平移变换和能量最小化方法,进一步计算了正四面体群下T*(e+t2)杨-泰勒系统中的激发态能量,从对称性的角度分析了T1电子态的能级分裂以及晶格体系的对称性破缺,得出了对称性的破缺方式和电声耦合系统密切相关的结论. 结果表明:通过群论与对称性分析完全可以定性地解释由于电声耦合所造成的简并电子

关键词:

Abstract

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.

Keywords:

作者及机构信息

(1)韩山师范学院物理与电子工程系,潮州 521041; (2)汕头大学医学院物理教研室,汕头 515041

基金项目: 国家自然科学基金(批准号:50802118)资助的课题.

Authors and contacts

(1)Department of physics and electronic engineering, Hanshan Normal University, Chaozhou 521041, China; (2)Department of physics and informatics, Medical College, Shantou University, Shantou 515041, China

参考文献

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[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 物理学报 40 1320]
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[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 物理学报 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 物理学报 53 2292]
[27]	Qiu Q C, Qiao F 2006 Chin. Sci. Bull. 51 2553

施引文献

[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 物理学报 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 物理学报 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 物理学报 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 物理学报 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 物理学报 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 物理学报 53 2292]
[27]	Qiu Q C, Qiao F 2006 Chin. Sci. Bull. 51 2553

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