RESUME NAME: Chun-gang Duan

ADDRESS: Department of Physics

University of Nebraska at Omaha

Omaha, NE 68182-0266

PHONE: 402-554-3519 (O), 402-502-0076 (H)

FAX: 402-554-3100

E-MAIL: dcg@cosmos.unomaha.edu

POSITION: Research Associate

EDUCATION:

Ph.D. Institute of Physics, Academia Sinica, Beijing, China, August 1998

BS Department of Physics, Wuhan University, Wuhan, China, June 1994

RESEARCH EXPERIENCES:

1998.10-present: Dept. of Physics, University of Nebraska at Omaha

Studied the electronic structure and phase transitions of polymer ferroelectric (PVDF, polyvinylidene fluoride). Advised molecular dynamics simulation program to handle the force fields calculations. This is in close collaboration with the experimental group in Physics Department of University of Nebraska-Lincoln.

Studied the order-disorder phase transitions in nitrites and some ferroelectric materials with molecular dynamics simulation technique.

Studied the optical properties of an important ferroelectric material KNbO3 by ab initio LAPW method. Particularly, the doping effect, which is very useful to improve the optical properties of KNbO3, was carefully studied. This material has important application in design of large optical memory.

1994.9-1998.8: Institute of Physics, Academia Sinica

Calculated the nonlinear optical (NLO) susceptibility of the important NLO material: LBO, BBO and CBO by first-principles LAPW method. This is the first ab initio calculation on the NLO properties on practical NLO crystals.

Studied the phonon dispersion in semiconductors with ab initio pseudopotential method and the linear response theory.

Studied the laser damage problem of alkali halides and the NLO materials by ab initio LCAO method. Proposed and applied the Green's function method to calculate the multi-photon absorption coefficients.

PUBLICATIONS:

1. Chun-gang Duan, W. N. Mei, J. R. Hardy, Stephen Ducharme, Jaewu Choi, and P. A. Dowben, "Comparison of the Theoretical and Experimental Band Structure of Poly(vinylidene Fluoride) Crystal", submitted.

2. Chun-gang Duan, W. N. Mei, Weiguo Yin, Jianjun Liu, J. R. Hardy, Stephen Ducharme, Jaewu Choi, and P. A. Dowben, "Theoretical surface simulation on Poly(vinylidene Fluoride)", in preparation.

3. Chun-gang Duan, W. N. Mei, Jianjun Liu, J. R. Hardy, "First-principles study on the optical properties of KNbO3", Journal of Physics: Condensed Matter 13, 8189 (2001).

4. Chun-gang Duan, W. N. Mei, R. W. Smith, Jianjun Liu, M. M. Ossowski, and J. R. Hardy, "Order-disorder phase transitions in KNO2, CsNO2, and TlNO2 crystals: a molecular dynamics study", Phys. Rev. B 63, 144105 (2001).

5. Chun-gang Duan, Jun Li, Zong-quan Gu, Ding-sheng Wang, "First principles calculation of the second harmonic generation coefficients of borate crystals", Phys. Rev. B 60, 9435 (1999).

6. Chun-gang Duan, Jun Li, Zong-quan Gu, Ding-sheng Wang, "Interpretation of the nonlinear optical susceptibility of borate crystals from the first principles", Phys. Rev. B 59, 369 (1999).

7. Chun-gang Duan, Zong-quan Gu, Jun Li, Ding-sheng Wang, Shang-fen Ren, "Application of Green's function technique to the calculation of multiphoton absorption coefficients of crystalline solids", Phys. Rev. B 57, 10 (1998).

8. Jun Li, Chun-gang Duan, Zong-quan Gu, Ding-sheng Wang, "Electronic structure and optical properties of LiB3O5, CsB3O5, and BaB2O4 crystals by first-principles band calculations", Phys. Rev. B 57, 6925 (1998).

9. Jun Li, Chun-gang Duan, Zong-quan Gu, Ding-sheng Wang, "Linear optical properties and multiphoton absorption of alkali halides calculated from first principles", Phys. Rev. B 57, 2222 (1998).

10. Jianjun Liu, Chun-gang Duan, W. N. Mei, R. W. Smith, J. R. Hardy, "Order-Disorder Structural Phase Transitions in Alkali Perchlorates", Journal of Solid State Chemistry 163, 294 (2002).

11. Jianjun Liu, Chun-gang Duan, W. N. Mei, R. W. Smith, J. R. Hardy, "Polymorphous transformations in alkaline-earth silicates: a molecular dynamics study", Journal of Chemical Physics 116, 3864 (2002).

12. Jianjun Liu, Chun-gang Duan, M. M. Ossowski, W. N. Mei, R. W. Smith, J. R. Hardy, "Molecular Dynamics Simulation of Structural Phase Transitions in RbNO3 and CsNO3", Journal of Solid State Chemistry 160, 222 (2001).

13. Jianjun Liu, Chun-gang Duan, M. M. Ossowski, W. N. Mei, R. W. Smith, J. R. Hardy, "Molecular Dynamics Simulation of Phase Transition in AgNO3", Journal of Physics and Chemistry of Solids 63, 409 (2002).

14. Jianjun Liu, Chun-gang Duan, M. M. Ossowski, W. N. Mei, R. W. Smith, J. R. Hardy, "Simulation of structural phase transition in NaNO3 and CaCO3", Physics and Chemistry of Minerals 28, 586 (2001).

15. Jianjun Liu, Chun-gang Duan, M. M. Ossowski, W. N. Mei, R. W. Smith, J. R. Hardy, "High temperature phase transition in TlN3", Materials Research Bulletins 36, 2035 (2001).

16. J. J. Liu, C. G. Duan, W. N. Mei, M. M. Ossowski, and J. R. Hardy, "Simulation of structural transformation in aragonite CaCO3", Fundamental physics of ferroelectric, edited by R. E. Cohen, p338 (2000).

17. L. L. Boyer, M. J. Mehl, W. N. Mei, C. G. Duan, J. W. Flocken, R. Guenther, J. R. Hardy, and H. T. Stoke, P. J. Edwardson, "Predicted properties of NaCaF3", Fundamental Physics of Ferroelectrics, edited by R. E. Cohen, p364 (2000).

PROFESSIONAL SERVICES:

Referee: Physical Review B and Physical Review Letters.

MEMBERSHIP:

Member of American Physical Society (APS).