個人簡介
![鄺小渝教授在黃山上](/img/0/860/wZwpmL1gDNyYTMycDO4YDN1UTM1QDN5MjM5ADMwAjMwUzL3gzLxYzLt92YucmbvRWdo5Cd0FmLyE2LvoDc0RHa.jpg)
1983 年本科畢業於蘭州大學物理系理論物理專業,1994 年在法國巴黎大學(Ⅺ)獲科學博士學位。現為中國物理學會原子與分子物理專業委員會委員、中國科學院國際材料物理中心協作成員、Phys. Rev., J. Phys. Chem., Solid. State. Commun , Phys. Chem. Miner等刊物的審稿專家。
主要成就
1. 建立了複雜電子組態離子體系的理論計算方法與程式,解決了 1962 年由 W. Low 等人提出的電子順磁共振理論困難。獲 1987 年度中國化學會青年化學獎和 1991 至 1994 年度法 國政府 博士獎學金。
2. 提出了關於 Fe(III)/Fe(II) 在絡合分子中的高<-->低自旋轉換理論。
3. 提出了關於過渡金屬離子自旋團簇在絡合分子中的磁性理論計算方法,提出了關於同核與異核過渡金屬離子團簇的共價分子磁性理論,並套用於多種生物大分子催化活性中心的反鐵磁性研究,如核糖核酸還原酶、細胞色素氧化酶、蚯蚓血紅蛋白酶等強共價分子體系。
科研項目
1. 國家自然科學基金 研究期間:2010.1-2012.12 “稀土摻雜絡合物局域各向異性電磁結構理論研究”
2. 國家自然科學基金 研究期間:2008.1-2010.12 ”單分子磁體電磁結構與磁量子隧穿現象理論研究”
3. 國家自然科學基金 研究期間:2004.1-2006.12 “分子合金磁滯自旋轉換理論研究”
4. 國家教育部博士點基金:研究期間:2006.1-2008.12 “超氧化物歧化酶催化活性中心電磁結構理論研究”
5. 國家教育部優秀青年教師資助項目 研究期間:2002.1-2004.12 “細胞色素氧化酶催化活性中心異核團簇磁現象研究”
6. 國家自然科學基金 研究期間:2001.1-2003.12 “核糖核酸還原酶催化活性中心磁現象研究”
7. 國家自然科學基金 研究期間:1998.1-2000.12 “生物蛋白體中過渡金屬自旋團簇磁現象研究”
8. 國家自然科學基金 研究期間:1997.1-1999.12 “Fe(III)分子絡合團簇中的自旋轉換態理論”
9. 國家教委留學回國人員科研啟動基金 研究期間:1996.1-1998.12 “鐵蛋白活性中心的電磁結構與功能的關係”
代表性科研成果
Phys.Rev.B 36 (1987) 712;
Phys.Rev.B 36 (1987) 797;
Phys.Rev.B 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;
鄺小渝課題組簡介
課題組名稱
凝聚態物質的原子與分子物理基礎研究室
簡介
凝聚態物質的原子分子物理基礎研究是四川大學原子與分子物理國家重點學科的主要研究方向之一。由中國物理學會原子與分子物理專業委員會委員、博士生導師鄺小渝教授負責,成員包括毛愛傑助理研究員等。承擔過6項國家自然科學基金項目和3項教育部基金項目。已畢業和在讀研究生55人,有20位研究生在校期間獲得了學校的獎勵,包括寶鋼獎3次,雲天化獎2次 。
主要研究方向
1)凝聚態中的原子分子物理問題。
2)過渡金屬和稀土金屬絡合材料的微結構與光譜學。
3)團簇分子結構與物性。
課題組發表論文情況
在國際SCI刊物上發表論文100餘篇,其中有50餘篇重要的文章發表在影響因子大於2的國際著名刊物上。包括 Phys.Rev. 9篇、Phys.Chem.Chem.Phys.2篇、J. Phys.Chem. 14篇、 Chem.Phys. Lett.25篇。
2005~2010年課題組部分科研成果
1. Die Dong, 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 dynamics 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 copper–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-Pressure Structural Transition and Thermodynamic Properties in Sodium Chloride: 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 Zinc 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 Energy 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 Zinc: 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. Dong Die, Kuang Xiao-Yu,Wang Hui, Guo Jian-Jun, Zhou Kang-Wei
Study of EPR spectra for octahedral Fe3+ center in lutetium 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-temperature 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 calcite and differences between single crystal and fresh water 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 zinc oxide
Chemical Physics Letters 2006,429,266-270.
19. Yang Xiong, Kuang Xiao-Yu
EPR theoretical study of hydrostatic pressure and temperature 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 Jin-Hong, Kuang Xiao-Yu, Duan Mei-Ling, Jiao Zhao-Yong
Theoretical study of local lattice structure of Fe3+–VM system in iron-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 energy 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 zinc fluoride hexahydrate
Chemical Physics Letters 2007, 442, 460-463.
23. Cai-Xia Zhang, Xiao-Yu Kuang, Guang-Dong 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+, Ca2+, 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 temperature
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 temperature on the local angular thermal expansion and local structure for nickel-doped zinc 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 temperature
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.
畢業生就業情況
程繼文 中國科學院物理所(北京)
魯 偉 中國科學院上海光機所(上海)
朱欽聖 電子科技大學(成都)
毛愛傑 四川大學(成都)
王 輝 西南交通大學(成都)
王懷謙 華僑大學 (廈門)
楊 雄 中國民航大學(天津)
焦照勇 河南師範大學(新鄉)
李菊芬 西南石油大學(成都)
柴瑞鵬 西安建築科技大學 (西安)
譚曉明 魯東大學(煙臺)
黃肖芬 四川師範大學(成都)
迭 東 西華大學(成都)
李 迎 東華理工大學(南昌)
段美玲 中北大學(太原)
王淑娟 四川理工學院 (自貢)
李會麗 江西中醫學院 (南昌)
盧 成 南陽師院 (南陽)
付成果 銅仁職業技術學院(銅仁)
李廣東 總裝備部研究所(洛陽)
張仕勛 中國廣東核電集團(深圳)
楊桃芬 江蘇阿斯特太陽能電力公司(蘇州)
張彩霞 中科院寧波材料技術與工程研究所(寧波)
業餘愛好
羽毛球運動,曾獲得全民健身與奧運同行2007年全國東西南北中羽毛球大賽男子單打D組冠軍(2007年10月,成都)。