人物經(jīng)歷
1983 年本科畢業(yè)于蘭州大學(xué)物理系理論物理專業(yè),1994 年在法國巴黎大學(xué)(Ⅺ)獲科學(xué)博士學(xué)位。
1995年晉升四川大學(xué)教授,2003年任博士生導(dǎo)師。
主要成就
主持了多項國家自然科學(xué)基金項目,在國際SCI雜志上發(fā)表論文200余篇。
1. 建立了復(fù)雜電子組態(tài)離子體系的理論計算方法與程序,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(xué)會青年化學(xué)獎和 1991 至 1994 年度法 國政府 博士獎學(xué)金。
2. 提出了關(guān)于 Fe(III)/Fe(II) 在絡(luò)合分子中的高<-->低自旋轉(zhuǎn)換理論。
3. 提出了關(guān)于過渡金屬離子自旋團(tuán)簇在絡(luò)合分子中的磁性理論計算方法,提出了關(guān)于同核與異核過渡金屬離子團(tuán)簇的共價分子磁性理論,并應(yīng)用于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(xì)胞色素氧化酶、蚯蚓血紅蛋白酶等強共價分子體系。
社會任職
現(xiàn)為中國物理學(xué)會原子與分子物理專業(yè)委員會委員、中國科學(xué)院國際材料物理中心協(xié)作成員、Phys. Rev., J. Phys. Chem., Solid. State. Commun , Phys. Chem. Miner等刊物的審稿專家。
學(xué)術(shù)成果
1. Theoretical study on the ground state of the polar alkali-metal-barium molecules: Potential energy curve and permanent dipole moment. J. Chem. Phys. 2015, 152, 034308.
2. Phase Stability, Physical Properties, and Hardness of Transition-Mental Diborides MB2 (M=Tc, W, Re and Os):First-Principles Investigations. J. Phys. Chem. C. 2013, 117, 10643.
3. Semi-empirical calculations of radiative rates for parity-forbidden transitions within the 4f2 configuration of Ba-like ions La+,Ce2+,Pr3+ and Nd4+ and 4f12 configuration of Dy-like Yb4+. J. Phys. B: At. Mol. Opt. Phys. 2014, 47, 145002.
4. Analyzing and modeling the interaction potential of the ground-state beryllium dimmer. Phys. Rev. A. 2013, 88, 022517.
研究方向
包括固體中過渡金屬離子與稀土離子的電磁結(jié)構(gòu)及波譜理論、鐵電與鐵磁材料物性及相變的微觀機理、固體中的電子運輸微觀機理等。
科研項目
1.國家自然科學(xué)基金研究期間:2010.1-2012.12 “稀土摻雜絡(luò)合物局域各向異性電磁結(jié)構(gòu)理論研究”
2. 國家自然科學(xué)基金 研究期間:2008.1-2010.12 ”單分子磁體電磁結(jié)構(gòu)與磁量子隧穿現(xiàn)象理論研究”
3. 國家自然科學(xué)基金 研究期間:2004.1-2006.12 “分子合金磁滯自旋轉(zhuǎn)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(jié)構(gòu)理論研究”
5. 國家教育部優(yōu)秀青年教師資助項目 研究期間:2002.1-2004.12 “細(xì)胞色素氧化酶催化活性中心異核團(tuán)簇磁現(xiàn)象研究”
6. 國家自然科學(xué)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(xiàn)象研究”
7. 國家自然科學(xué)基金 研究期間:1998.1-2000.12 “生物蛋白體中過渡金屬自旋團(tuán)簇磁現(xiàn)象研究”
8. 國家自然科學(xué)基金 研究期間:1997.1-1999.12 “Fe(III)分子絡(luò)合團(tuán)簇中的自旋轉(zhuǎn)換態(tài)理論”
9. 國家教委留學(xué)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(jié)構(gòu)與功能的關(guān)系”
獲獎情況
四川省學(xué)術(shù)和技術(shù)帶頭人,四川大學(xué)首屆十佳師德獎獲得者。
課題小組
名稱
凝聚態(tài)物質(zhì)的原子與分子物理基礎(chǔ)研究室
簡介
凝聚態(tài)物質(zhì)的原子分子物理基礎(chǔ)研究是四川大學(xué)原子與分子物理國家重點學(xué)科的主要研究方向之一。由中國物理學(xué)會原子與分子物理專業(yè)委員會委員、博士生導(dǎo)師鄺小渝教授負(fù)責(zé),成員包括毛愛杰助理研究員等。承擔(dān)過6項國家自然科學(xué)基金項目和3項教育部基金項目。已畢業(yè)和在讀研究生55人,有20位研究生在校期間獲得了學(xué)校的獎勵,包括寶鋼獎3次,云天化獎2次。
研究方向
1)凝聚態(tài)中的原子分子物理問題。
2)過渡金屬和稀土金屬絡(luò)合材料的微結(jié)構(gòu)與光譜學(xué)。
3)團(tuán)簇分子結(jié)構(gòu)與物性。
課題組發(fā)表論文情況
在國際SCI刊物上發(fā)表論文100余篇,其中有50余篇重要的文章發(fā)表在影響因子大于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 copperu2013gold 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+u2013VM 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.
就業(yè)情況
程繼文 中國科學(xué)院物理所(北京)
魯 偉 中國科學(xué)院上海光機所(上海)
朱欽圣電子科技大學(xué)(成都)
毛愛杰 四川大學(xué)(成都)
王 輝西南交通大學(xué)(成都)
王懷謙華僑大學(xué)(廈門)
楊 雄中國民航大學(xué)(天津)
焦照勇河南師范大學(xué)(新鄉(xiāng))
李菊芬西南石油大學(xué)(成都)
柴瑞鵬西安建筑科技大學(xué)(西安)
譚曉明魯東大學(xué)(煙臺)
黃肖芬四川師范大學(xué)(成都)
迭 東西華大學(xué)(成都)
李 迎東華理工大學(xué)(南昌)
段美玲中北大學(xué)(太原)
王淑娟四川理工學(xué)院(自貢)
李會麗江西中醫(yī)學(xué)院(南昌)
盧 成 南陽師院 (南陽)
付成果銅仁職業(yè)技術(shù)學(xué)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(tuán)(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(shù)與工程研究所(寧波)
業(yè)余愛好
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)。