简单百科
邝小渝

邝小渝

小渝，四川大学二级教授，博士生导师，四川省学术和技术带头人，中国物理学会原子与分子物理专业委员会委员。四川大学首届十佳师德奖获得者。1994年博士毕业于法国巴黎十一大学，1995年晋升四川大学教授，2003年任博士生导师。解决了“晶体中半满态过渡金属离子基态零场分裂理论困难”这一公认EPR难题，荣获1987年度中国化学会青年化学奖，系列工作发表于Phys.Rev.B。主持了多项国家自然科学基金项目，在国际SCI杂志上发表论文200余篇。研究方向包括固体中过渡金属离子与稀土离子的电磁结构及波谱理论、铁电与铁磁材料物性及相变的微观机理、固体中的电子运输微观机理等。

个人简介

1983 年本科毕业于兰州大学物理系理论物理专业，1994 年在巴黎大学（Ⅺ）获科学博士学位。现为中国物理学会原子与分子物理专业委员会委员、中国科学院国际材料物理中心协作成员、Phys. Rev., J. Phys. Chem., Solid. State. Commun , Phys. Chem. Miner等刊物的审稿专家。

主要成就

1. 建立了复杂电子组态离子体系的理论计算方法与程序，解决了 1962 年由 W. Low 等人提出的电子顺磁共振理论困难。获 1987 年度中国化学会青年化学奖和 1991 至 1994 年度法国政府博士奖学金。

2. 提出了关于 Fe(III)/Fe(II) 在络合分子中的高\u003c--\u003e低自旋转换理论。

3. 提出了关于过渡金属离子自旋团簇在络合分子中的磁性理论计算方法，提出了关于同核与异核过渡金属离子团簇的共价分子磁性理论，并应用于多种生物大分子催化活性中心的反铁磁性研究，如核糖核酸还原酶、细胞色素氧化酶、蚯蚓血红蛋白酶等强共价分子体系。

科研项目

1. 国家自然科学基金研究期间：2010.1-2012.12 “稀土掺杂配位化合物局域各向异性电磁结构理论研究”

2. 国家自然科学基金研究期间：2008.1-2010.12 ”单分子磁体电磁结构与磁量子隧穿现象理论研究”

3. 国家自然科学基金研究期间：2004.1-2006.12 “分子合金磁滞自旋转换理论研究”

4. 国家教育部博士点基金：研究期间：2006.1-2008.12 “超氧化物歧化酶催化活性中心电磁结构理论研究”

5. 国家教育部优秀青年教师资助项目研究期间：2002.1-2004.12 “细胞色素氧化酶催化活性中心异核团簇磁现象研究”

6. 国家自然科学基金研究期间：2001.1-2003.12 “核糖核酸还原酶催化活性中心磁现象研究”

7. 国家自然科学基金研究期间：1998.1-2000.12 “生物蛋白体中过渡金属自旋团簇磁现象研究”

8. 国家自然科学基金研究期间：1997.1-1999.12 “Fe(III)分子络合团簇中的自旋转换态理论”

9. 国家教委留学回国人员科研启动基金研究期间：1996.1-1998.12 “铁蛋白活性中心的电磁结构与功能的关系”

代表性科研成果

Phys.Rev. from DVLB 36 (1987) 712;

Phys.Rev.B 36 (1987) 797;

Phys.REVB 37 (1988) 9719;

Phys.Rev.B 45 (1992) 8014;

Phys.Rev.B 47 (1993) 5455;

Phys.Rev.B 48 (1993) 6676;

Phys.Rev.B 72 (2005) 073101;

Phys.Rev.A71 (2005) 064102;

J.Phys.Chem. A109 (2005) 10129;

J.Phys.Chem.A104 (2000)7308;

Chem.Phys.Lett.358 (2002) 207;

Chem.Phys.Lett.365 (2002) 122;

Phys.Lett.A 213 (1996) 89;

Phys.Lett.A 262 (1999) 289;

Phys.Lett.A 285 (2001) 177;

Phys.Lett.A 293 (2002) 293;

Phys.Lett.A 299 (2002) 407;

邝小渝课题组简介

课题组名称

凝聚态物质的原子与分子物理基础研究室

简介

凝聚态物质的原子分子物理基础研究是四川大学原子与分子物理国家重点学科的主要研究方向之一。由中国物理学会原子与分子物理专业委员会委员、博士生导师邝小渝教授负责，成员包括毛爱杰助理研究员等。承担过6项国家自然科学基金项目和3项教育部基金项目。已毕业和在读研究生55人，有20位研究生在校期间获得了学校的奖励，包括宝钢奖3次，云天化集团奖2次。

主要研究方向

1）凝聚态中的原子分子物理问题。

2）过渡金属和稀土金属络合材料的微结构与光谱学。

3）团簇分子结构与物性。

课题组发表论文情况

在国际SCI刊物上发表论文100余篇，其中有50余篇重要的文章发表在影响因子大于2的国际著名刊物上。包括 Phys.Rev. 9篇、Phys.Chem.Chem.Phys.2篇、J. Phys.Chem. 14篇、 Chem.Phys. Lett.25篇。

2005~2010年课题组部分科研成果

1. Die 越南盾, Kuang Xiao-Yu, Guo Jian-Jun,Wang Hui, Zhou Kang-Wei

Optical Absorption and EPR study of the octahedral Fe3+ center in yttrium aluminum garnet

Physical Review B 2005, 72,073101-073104.

2. Zhu Qin-Sheng, Kuang Xiao-Yu, Tan Xiao-Ming

Algebraic 动力学 study for homotrinuclear linear spin cluster in a rotating magnetic field

Physical Review A 2005, 71, 064102-064106

3. Wang Huai-Qian, Kuang Xiao-Yu, Li Hui-Fang

Density functional study of structural and electronic properties of bimetallic 铜gold clusters:comparison with pure and doped gold clusters

Physical Chemistry Chemical Physics 2010, 12, 5156-5165.

4. Lu Cheng, Kuang Xiao-Yu, Zhu Qin-Sheng

Characterization of the High-压强 Structural Transition and Thermodynamic Properties in 钠氯化物: A Computational Investigation on the Basis of the Density Functional Theory

Journal of Physical Chemitry B 2008,112,13898-13905.

5. Kuang Xiao-Yu, Zhou Kang-Wei

Quantum-Admixture Model of High-Spin ↔ Low-Spin Transition for Ferrous Complex Molecules

Journal of Physical Chemitry A 2005, 109, 10129-10137.

6. Kuang Xiao-Yu, Lu Cheng

Characterization of Electronic Transition Energies and Trigonal Distortion of the (FeO6)9- Coordination Complex in the Al2O3:Fe3+ System: A Simple Method for Transition-Metal Ions in a Trigonal Ligand Field

Journal of Physical Chemitry A 2006, 110, 11353-11358.

7. Mao Ai-Jie, Kuang Xiao-Yu, Hui Wang, Lu Cheng

EPR Theoretical Study of Local Molecular Structure and Thermal Expansion Coefficient for Octahedral Mn2+ Centers in 锌 Fluosilicate

Journal of Physical Chemitry A 2006, 110,5869-5873.

8. Lu Cheng, Kuang Xiao-Yu, Tan Xiao-Ming, Yang Xiong

Theoretical Investigation of Electron Paramagnetic Resonance Spectra and Local Structure Distortion for Mn2+ Ions in CaCO3:Mn2+ System: A Simple Model for Mn2+ Ions in a Trigonal Ligand Field

Journal of Physical Chemitry A 2007,111, 2783-2789.

9. Lu Cheng, Kuang Xiao-Yu, Zhou Kang-Wei

A ULFC Method for d4(D2d) Ions and a Study of the Spin Singlets Contributions to Zero-Field Splitting of Cr2+ Ions in Zinc Sulfide Crystals

Journal of Physical Chemitry A 2007,111,11110-11115.

10. Mao Ai-Jie, Kuang Xiao-Yu

Tetragonal Distortion of Structural Defects in Cr3+ Doped in Several Perovskites Calculated from the EPR and Optical Data: A Complete 能量 Matrix Study

Journal of Physical Chemitry A 2008, 112, 7280-7285.

11. Kuang Xiao-Yu, Mao Ai-Jie, Wang Hui

Local Lattice Structure Study of the Octahedral (CrO6)9- Clusters for Cr3+ Ion Doping in a Variety of Oxide Crystals by Simulating the Corresponding EPR and Optical Spectra

Journal of Physical Chemitry A 2008, 112, 737-743.

12. Wang Huai-Qian, Kuang Xiao-Yu, Li Hui-Fang

Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with 锌: AunZn− (2 ≤ n≤ 10)

Journal of Physical Chemitry A 2009, 113, 14022-14028.

13. Li Yan-Fang, Kuang Xiao-Yu, Wang Su-Juan, Zhao Ya-Ru

Geometries, Stabilities, and Electronic Properties of Small Anion Mg-Doped Gold Clusters: A Density Functional Theory Study

Journal of Physical Chemitry A 2010, 114, 11691-11698

14. Kuang Xiao-Yu, Tan Xiao-Ming, Zhou Kang-Wei

EPR theoretical investigation of substitution site and local lattice structure of tetragonal Cr2+ in cadmium thiogallate

Chemical Physics Letters 2006, 432 218-221

15. 越南盾 Die, Kuang Xiao-Yu,Wang Hui, Guo Jian-Jun, Zhou Kang-Wei

Study of EPR spectra for octahedral Fe3+ center in 镥 aluminum garnet

Chemical Physics Letters 2006, 418, 71-74.

16. Dong Die, Kuang Xiao-Yu, Guo Jian-Jun, Hui Wang, Zhou Kang-Wei

EPR zero-field splitting parameters and structural distortion study of Mn2+-doped (CH3)4NCdCl3 crystal in high-温度 phases

Chemical Physics Letters 2006, 426, 77-80.

17. Fu Cheng-Guo, Kuang Xiao-Yu, Wang Hui, Yang Xiong, Tan Xiao-Ming

EPR theoretical study of local lattice structure on Mn2+ ion doped in 方解石 and differences between single crystal and fresh 液态水 snail, Pila globosa

Chemical Physics Letters 2006, 423, 297-301.

18. Li Ju-Fen, Kuang Xiao-Yu, Mao Ai-Jie, Tan Xiao-Ming

EPR theoretical study of local molecular structure for tetrahedral Fe3+ centers in 锌 oxide

Chemical Physics Letters 2006,429,266-270.

19. Yang Xiong, Kuang Xiao-Yu

EPR theoretical study of hydrostatic 压强 and 温度 dependence of local lattice structure for [Mn(H2O)6]2+ octahedral complex in the Zn(BF4)2 · 6H2O:Mn2+ system

Chemical Physics Letters 2007, 444, 101-106

20. Li JinHong, Kuang Xiao-Yu, Duan Mei-Ling, Jiao Zhao-Yong

Theoretical study of local lattice structure of Fe3+–VM system in 铁doped AMF3 crystals

Chemical Physics Letters 2007, 436, 133-138.

21. Wang Hui, Kuang Xiao-Yu, Mao Ai-Jie, Yang Xiong

Effect on the EPR and site symmetry of Cr3+ ions doping spinel crystals: A complete 能量 matrices study

Chemical Physics Letters 2007, 436, 194-198.

22. Huang Jin-Ling, Kuang Xiao-Yu, Mao Ai-Jie, Wang Hui

Local structure and EPR studies of octahedral (MnO6)2+ cluster in the series of 锌氟化物 hexahydrate

Chemical Physics Letters 2007, 442, 460-463.

23. Cai-Xia Zhang, Xiao-Yu Kuang, Guang-越南盾 Li, Hui Wang

Theoretical study on local lattice structure distortion for octahedral Fe3+ center in several germanate garnets

Chemical Physics Letters 2007, 441, 143-147.

24. Zhao-Yong Jiao, Xiao-Yu Kuang, Shu-Hong Ma, Jin-Hong Li, Mei-Ling Duan

An investigation of the EPR zero-field splitting of Fe3+ ions at tetragonal sites in Tl2MgF4 and Tl2ZnF4 crystals

Chemical Physics Letters 2007,483,254-258.

25. Lei-Lei pan, Xiao-Yu Kuang, Ai-Jie Mao, Hui Wang, Jin-Ling Huang

Studies of EPR theory and trigonal distortion of the [Cr(H2O)6]3+ cluster in ferroelectric guanidinium aluminum sulfate hexahydrate (GASH): Cr3+ system at different temperatures

Chemical Physics Letters 2007, 442,468-473.

26. Hui-Fang Li, Xiao-Yu Kuang, Huai-Qian Wang

Local structural properties of (NiF6)4− clusters in perovskite fluorides RbMF3 (M = Cd2+, ca(clo)2+, Mg2+) series: EPR and optical spectra study in tetragonal and trigonal ligand field

Chemical Physics Letters 2008, 462, 133-137.

27. Huai-Qian Wang, Xiao-Yu Kuang, Hui-Fang Li

Studies of EPR theory and trigonal distortion of the (NiX6)4− clusters (X = halide ion) in the series of perovskite crystals AMX3 (A = Rb, Cs; M = Cd, Mg; X = halide ion)

Chemical Physics Letters 2008,460,365-369.

28. Li Ying, Kuang Xiao-Yu, Li Hui-Li, Mao Ai-Jie, Tang Li-Juan

Investigation of the EPR and local defect structures for (FeO6)9− and (MnO6)10− clusters in TiO2 crystal at different 温度

Chemical Physics Letters 2008,461,160-163.

29. Huang Jin-Ling, Kuang Xiao-Yu, Li Ying

Investigation of optical spectra and local structure for (CrF6)3− cluster in Cs2NaAlF6:Cr3+ and Cs2NaGa F6:Cr3+ systems

Chemical Physics Letters 2008, 458, 227-230.

30. Ai-Ping Zhai, Xiao-Yu Kuang, Mei-Ling Duan, Cai-Xia Zhang, Rui-Peng Chai

Effect of 温度 on the local angular thermal expansion and local structure for 镍doped 锌 fluosilicate

Chemical Physics Letters 2008, 467, 170-175.

31. Wen-Yan Tian, Xiao-Yu Kuang, Hui-Fang Li, Yan-Fang Li, Ying-Li

EPR investigation of local structure for [Mn(H2O)6]2+ cluster in [M(H2O)6]XCl6:Mn2+ (M = Zn, Mg, Cd, Ca; X = Pt, Sn) systems at different temperatures

Chemical Physics Letters 2009, 468, 325-329.

32. Li Ying, Kuang Xiao-Yu, Mao Ai-jie, Li Hui-li, Chai Rui-peng

EPR studies for [Mn(H2O)6]2+ complex in MSnF6·6H2O:Mn2+ (M = Zn, Co) and Cd(BF4)2·6H2O:Mn2+ systems at different 温度

Chemical Physics Letters 2010,487, 307-311.

33. Cheng-Gang Li, Xiao-Yu Kuang, Rui-Peng Chai, Ya-Ru Zhao

Theory of the ligand-correlated covalent effect on spin orbit coupling for Cr3+ ion doping in a variety of oxide crystals

Chemical Physics Letters 2010, 498,353-358.

34. Hui-Li Li, Xiao-Yu Kuang, Ai-Jie Mao, Ying Li, Su-Juan Wang

Study of local structures and optical spectra for octahedral Fe3+ centers in a series of garnet crystals A3B2C3O12 (A = Cd, Ca; B = Al, Ga, Sc, In; C = Ge, Si)

Chemical Physics Letters 2010, 484, 387-391.

35. Xiao-Ming Tan, Xiao-Yu Kuang, Kang-Wei Zhou, Cheng Lu, Qin-Sheng Zhu

Spin-singlet contributions to zero-field splitting of a 3d4 ion at a distorted octahedral site and applications to Cr2+ ions in Rb2CrCl4 and CrF2

Journal of Physics: Condensed Matter 2006, 18 1705-1713.