PUBLICATIONS: (*: Co-first author or corresponding author)

1. Wanjiao Zhu, Dun Xiao, Yaowen Liu, S. J. Gong, and Chun-Gang Duan. "Picosecond electric field pulse
induced coherent magnetic switching in MgO/FePt/Pt(001)-based tunnel junctions: a multiscale study", Sci. Rep.
4, 4117 (2014).

2. Rong Huang, Hang-Chen Ding, Wen-I Liang, Yong-Chao Gao, Xiao-Dong Tang, Qing He, Chun-Gang Duan*,
Ziqiang Zhu, Junhao Chu, Craig A. J. Fisher, Tsukasa Hirayama, Yuichi Ikuhara and Ying-Hao Chu. "Atomic-
Scale Visualization of Polarization Pinning and Relaxation at Coherent BiFeO3/LaAlO3 Interfaces", Adv. Func.
Mater. 24, 793–799 (2014).

3. Wen-Yi Tong, Hang-Chen Ding, Yong-Chao Gao, Shi-jing Gong, Xiangang Wan, and Chun-Gang Duan.
"Spin-dependent optical response of multiferroic EuO: First-principles DFT calculations", Phys. Rev. B 89,
064404 (2014).

4. J.Z. Zhang, H.C. Ding, J.J. Zhu, Y.W. Li, Z.G. Hu, C.G. Duan, X.J. Meng, and J.H. Chu. "Electronic structure
and optical responses of nanocrystalline BiGaO3 films: A combination study of experiment and theory", J. Appl.
Phys. 115, 1031xx (2014).

5. Rui-Qi Wang, Wan-Jiao Zhu, Hang-Chen Ding, Shi-Jing Gong, Chun-Gang Duan. "Ferroelectric control of in-
plane to out-of-plane magnetization switching at poly(vinylidene fluoride)/iron interface", J. Appl. Phys. 115,
043909 (2014).

6. Yongping Du, Hang-Chen Ding, Li Sheng, Sergey Y. Savrasov, Xiangang Wan, and Chun-Gang Duan.
"Microscopic origin of stereochemically active lone pair formation from orbital selective external potential
calculations", J. Phys.: Condens. Matt. 26, 025503 (2014).

7. Chun-Gang Duan, Yong-Gang Zhao. "Multiferroic heterojunctions:1+1⊥ 2", Physics 43, 99 (2014), invited
paper in Chinese.

8. Yue-Wen Fang, Yong-Chao Gao, Shi-Jing Gong, Chun-Gang Duan. "Advances in Ferroelectric and
Multiferroic Tunnel Junctions", Progress in Physics (Chinese) 33, 382 (2013).

9. Jia Liu, Wei Bai, Jing Yang, Wenfei Xu, Yuanyuan Zhang, Tie Lin, Xiangjian Meng, Chun-Gang Duan,
Xiaodong Tang, and Junhao Chu. "The Cr-substitution concentration dependence of the structural, electric and
magnetic behaviors for Aurivillius Bi5Ti3FeO15 multiferroic ceramics", J. Appl. Phys. 114, 234101 (2013).

10. P.-H. Xiang, N. Zhong, C.-G. Duan, X. D. Tang, Z. G. Hu, P. X. Yang, Z. Q. Zhu and J. H. Chu. "Strain
controlled metal-insulator transition in epitaxial NdNiO3 thin films", J. Appl. Phys. 114, 243713 (2013).

11. Heng-Jui Liu, Vu-Thanh Tra, Ying-Jiun Chen, Rong Huang, Chun-Gang Duan, Ying-Hui Hsieh, Hong-Ji Lin,
Jiunn-Yuan Lin, Chien-Te Chen, Yuichi Ikuhara, Ying-Hao Chu. "Large Magnetoresistance in Magnetically
Coupled SrRuO3 –CoFe2O4 Self-Assembled Nanostructures", Adv. Mater. 25, 4753–4759 (2013).

12. Wanjiao Zhu, Hang-Chen Ding, Shi-Jing Gong, Yaowen Liu, Chun-Gang Duan. "First-principles studies on the
magnetic anisotropy of Cu/FePt/MgO system", J. Phys.: Condens. Matt. 25, 396001 (2013).

13. Yong-Chao Gao, Chun-Gang Duan*, X. D. Tang, Z. G. Hu, Pingxiong Yang, Ziqiang Zhu, Junhao Chu. "First-
principles study on the intrinsic asymmetric ferroelectricity of SrTiO3-BaTiO3-CaTiO3 tricolor superlattice at
nanoscale", J. Phys.: Condens. Matt. 25, 165901 (2013).

14. He He, Hang-Chen Ding, Yong-Chao Gao, Shi-Jing Gong, Xiangang Wan, Chun-Gang Duan. "Epitaxial strain
induced magnetic transitions and phonon instabilities of the tetragonal SrRuO3", J. Phys.: Condens. Matt. 25,
165504 (2013).
15. Xiangang Wan, Hang-Chen Ding, Sergey Y. Savrasov and Chun-Gang Duan. "Density-functional calculations
of the electronic structure and lattice dynamics ofsuperconducting LaO0.5F0.5BiS2: Evidence for an electron-
phonon interaction near thecharge-density-wave instability", Phys. Rev. B 87, 115124 (2013).

16. Hang-Chen Ding, Ya-Wei Li, Wanjiao Zhu, Yong-Chao Gao, Shi-Jing Gong, Chun-Gang Duan. "Improved
multiferroic behavior in [111]-oriented BiFeO3/BiAlO3 superlattice", J. Appl. Phys. 113, 123703 (2013).

17. Guang Chen, Wei Bai, Lin Sun, Jing Wu, Qing Ren, Wenfei Xu, Jing Yang, Xiangjian Meng, Xiaodong Tang,
Chun-Gang Duan, and Junhao Chu. "Processing optimization and sintering time dependent magnetic and
optical behaviors of Aurivillius Bi5Ti3FeO15 ceramics", J. Appl. Phys. 113, 034901 (2013).

18. Shi-Jing Gong, Chun-Gang Duan*, Yan Zhu, Zi-Qiang Zhu, Jun-Hao Chu. "Controlling Rashba spin splitting
in Au(111) surface states through electric field", Phys. Rev. B 87, 035403 (2013).

19. Weichao Wang, Shiyou Chen, Ping-Xiong Yang, Chun-Gang Duan and Lin-Wang Wang, "Si:WO3
Heterostructure for Z-scheme Water Splitting: an ab-initio study", J. Mater. Chem. A 1, 1078-1085 (2013).

20. Shi-Jing Gong, Hang-Chen Ding, Wan-Jiao Zhu, Chun-Gang Duan,* Ziqiang Zhu, Junhao Chu. "A new
pathway towards all-electric spintronics: electric-field control of spin states through surface/interface effects",
Science China: Phys., Mech. & Astro. 56, 232–244 (2013), invited review article.

21. J. Yang, J. He, J. Y. Zhu, W. Bai, L. Sun, X. J. Meng, X. D. Tang, C.-G. Duan, D. Rémiens, J. H. Qiu, and J. H.
Chu, "Small polaron migration associated multiple dielectric responses of multiferroic DyMnO3 polycrystal in
low temperature region", Appl. Phys. Lett. 101, 222904 (2012).

22. Chun-gang Duan, "Interface/surface magnetoelectric effects: new routes to the electric field control of
magnetism", invited paper, Frontiers of Physics 7, 375 (2012).

23. Shi-Jing Gong, Chun-Gang Duan, Ziqiang Zhu, Jun-Hao Chu, "Manipulation of magnetic anisotropy of
Fe/graphene by charge injection", Appl. Phys. Lett. 100, 122410 (2012). (Selected for the April 9, 2012 issue of
Virtual J. of Nanoscale Science & Technology)

24. H.-C. Ding, Chun-Gang Duan*, "Electric-field control of magnetic ordering in the tetragonal-like BiFeO3",
Europhys. Lett. 97, 57007 (2012).

25. W. Bai, G. Chen, J. Y. Zhu, J. Yang, T. Lin, X. J. Meng, X. D. Tang, C. G. Duan, and J. H. Chu, "Dielectric
responses and scaling behaviors in Aurivillius Bi6Ti3Fe2O18 multiferroic thin films", Appl. Phys. Lett. 100,
082902 (2012).

26. Xing-Yuan Chen, Li-Juan Chen, Xiao-Bao Yang, Yu-Jun Zhao, Hang-Chen Ding, and Chun-Gang Duan,
"Tuning the polarization and magnetism in BiCoO3 by strain and oxygen vacancy effect: A first-principle study",
J. Appl. Phys. 111, 013901 (2012).

27. Junyu Zhu, Jing Yang, Wei Bai, Chungang Duan, Xiaodong Tang, Shuai Zhang, GenshuiWang, Xianlin Dong,
and Denis Remiens, "Magnetic field modulated dielectric relaxation behavior of Pt/BiScO3-
PbTiO3/La0.7Sr0.3MnO3 heterostructure in metal-insulator transition region: An equivalent-circuit method", J.
Appl. Phys. 110, 114118 (2011).

28. Junyu Zhu, Ying Chen, Wenfei Xua, Jing Yang, Wei Bai, Genshui Wang, Chungang Duan, Zheng Tang and
Xiaodong Tang, "Low-temperature transport properties of chemical solution deposited polycrystalline
La0.7Sr0.3MnO3 ferromagnetic films under a magnetic field", Phys. Lett. A 375, 3103–3106 (2011)

29. S. J. Gong, Z. Y. Li, Z. Q. Yang, Cheng Gong, Chun-Gang Duan, and J. H. Chu, "Spintronic properties of
graphene films grown on Ni(111) substrate", J. Appl. Phys. 110, 043704 (2011).
30. Xing-Yuan Chen, Ren-Yu Tian, Jian-Ming Wu, Yu-Jun Zhao*, Hang-Chen Ding and Chun-Gang Duan*, "Fe,
Mn, and Cr doped BiCoO3 for Magnetoelectric application: A First-Principles Study", J. Phys.: Condens. Matt.
23, 326005 (2011).

31. Wanjiao Zhu, Yaowen Liu*, Chun-Gang Duan*, "Modeling of the spin-transfer torque switching in FePt/MgO-
based perpendicular magnetic tunnel junctions: a combined ab initio and micromagnetic simulation study ",
Appl. Phys. Lett. 99, 032508 (2011). (Selected for the August 8, 2011 issue of Virtual J. of Nanoscale Science
& Technology)

32. Shiyou Chen, X. G. Gong, Chun-Gang Duan, Zi-Qiang Zhu, Jun-Hao Chu, Aron Walsh, Yu-Gui Yao, Jie Ma,
and Su-Huai Wei, "Band structure engineering of multinary chalcogenide topological insulators", Phys. Rev. B
83, 245202 (2011).

33. Hang-Chen Ding, Si-Qi Shi, Wei-Hua Tang, and Chun-Gang Duan*, "Ferroelectric switching path in
monodomain rhombohedral BiFeO3 crystal: a first-principles study", J. of Advanced Dielectrics 1, 179-184
(2011).

34. M. K. Niranjan, Chun-Gang Duan, S. S. Jaswal, and E. Y. Tsymbal, "Electric field effect on magnetization at
the Fe/MgO(001)interface", Appl. Phys. Lett. 96, 222504 (2010).

35. Chun-gang Duan, "Progress in the study of magnetoelectric effect". invited Review Article, Progress in
Physics (Chinese) 29, 215 (2009).

36. Chun-Gang Duan, Ce-Wen Nan, S. S. Jaswal, and E. Y. Tsymbal, "Universality of the Surface Magnetoelectric
Effect in Half-Metals", Phys. Rev. B (Rapid Communication) 79‚ 140403(R) (2009).

37. J. P. Velev, Chun-Gang Duan,* J. D. Burton, Alexander Smogunov, Manish K. Niranjan, Erio Tosatti, S. S.
Jaswal, and Evgeny Y. Tsymbal, "Magnetic tunnel junctions with ferroelectric barriers: Prediction of four
resistance states from first-principles", Nano Lett. 9, 427 (2009).

38. Chun-Gang Duan, J. P. Velev, R. F. Sabirianov, Ziqiang Zhu, Junhao Chu, S. S. Jaswal, and E. Y. Tsymbal,
"Surface Magnetoelectric effect in ferromagnetic metal films", Phys. Rev. Lett. 101, 137201 (2008). (Selected
for the October 6, 2008 issue of Virtual J. of Nanoscale Science & Technology).

39. Chun-gang Duan, J. P. Velev, R. F. Sabirianov, W. N. Mei, S. S. Jaswal, E. Y. Tsymbal, "Tailoring magnetic
anisotropy at the ferromagnet/ferroelectric interface", Appl. Phys. Lett. 92, 122905 (2008).

40. Chun-gang Duan, R. F. Sabiryanov, W. N. Mei, P. A. Dowben, S. S. Jaswal, E. Y. Tsymbal, "Electronic,

magnetic and transport properties of rare-earth monopnictides", invited Review Article, J. Phys.: Condens.
Matt. 19, 315220 (2007).

41. J. P. Velev, Chun-gang Duan, S. S. Jaswal, E. Y. Tsymbal, "Effect of ferroelectricity on electron transport in
Pt/BaTiO3/Pt ferroelectric tunnel junctions", Phys. Rev. Lett. 98, 137201 (2007). (Selected for the April 9, 2007
issue of Virtual J. of Nanoscale Science & Technology).

42. Chun-gang Duan, S. S. Jaswal, E. Y. Tsymbal, "Predicted Magnetoelectric Effect in Fe/BaTiO3 Multilayers:
Ferroelectric Control of Magnetism", Phys. Rev. Lett. 97, 047201 (2006). (Selected for the August 7, 2006 issue
of Virtual J. of Nanoscale Science & Technology, and highlighted in the Research News section in Materials
Today Vol. 9, October 2006).

43. Chun-gang Duan, R. F. Sabiryanov, W. N. Mei, S. S. Jaswal, E. Y. Tsymbal, "Interface Effect on

Ferroelectricity at the Nanoscale", Nano Lett. 6, 483 (2006).

44. Chun-gang Duan, R. F. Sabiryanov, W. N. Mei, S. S. Jaswal, P. A. Dowben, E. Y. Tsymbal, "Magnetic

ordering in Gd monopnictides: indirect exchange versus superexchange interaction", Appl. Phys. Lett. 88,
182505 (2006).
45. Chun-gang Duan, R. F. Sabiryanov, Jianjun Liu, W. N. Mei, P. A. Dowben, J. R. Hardy, "Strain induced half-
metal to semiconductor transition in GdN", Phys. Rev. Lett. 94, 237201 (2005).

46. Chun-gang Duan, W. N. Mei, "Theoretical study on the electronic and magnetic properties of GdN", Physics
35, 269 (2006), invited paper in Chinese.

47. Chun-gang Duan, W. N. Mei, Wei-guo Yin, Jianjun Liu, J. R. Hardy, Stephen Ducharme, and P. A. Dowben,
"Simulations of ferroelectric polymer film polarization: the role of dipole interactions", Phys. Rev. B 69, 235106
(2004).

48. Chun-gang Duan, W. N. Mei, Jianjun Liu, Wei-Guo Yin, J. R. Hardy, R. W. Smith, M. J. Mehl, L. L. Boyer,
“Electronic properties of NaCdF3: a first-principles prediction”, Phys. Rev. B 69, 033102 (2004).

49. 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", Europhys. Letter 61，
81 (2003).

50. 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).

51. 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).

52. 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).

53. 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).

54. Chun-gang Duan, Takashi Komesu, Hae-Kyung Jeong, Jaewu Choi, C. N. Borca, Wei-Guo Yin, Jianjun Liu, W.
N. Mei, P. A. Dowben, A. G. Petukhov, B. D. Schultz, and C. J. Palmstrøm, "Hybridization between 4f-5d states
in ErAs(100)", Surface Review and Letters 11, 531 (2004).

55. Chun-gang Duan, R. F. Sabiryanov, Jianjun Liu, W. N. Mei, P. A. Dowben, J. R. Hardy, "Theoretical study of
the magnetic ordering in rare-earth compounds with face-centered cubic structure", J. Appl. Phys. 97, 10A915
(2005).

56. Chun-gang Duan, W. N. Mei, Wei-guo Yin, Jianjun Liu, and J. R. Hardy, Mengjun Bai, Stephen Ducharme,
"Theoretical study on the optical properties of poly(vinylidene fluoride) crystal", J. Phys.: Condens. Matt. 15,
3805 (2003).

57. Chun-gang Duan, W. N. Mei, Jianjun Liu, J. R. Hardy, "First-principles study on the optical properties of
KNbO3", J. Phys.: Condens. Matt. 13, 8189 (2001).

58. M. K. Niranjan, J. Velev, Chun-Gang Duan, Sitaram Jaswal and Evgeny Tsymbal, "Magnetoelectric effect in
Fe3O4/BaTiO3 heterostructures: A theoretical study", Phys. Rev. B 78, 104405 (2008).

59. Sarbeswar Sahoo, Srinivas Polisetty, Chun-Gang Duan, Sitaram S. Jaswal, Evgeny Y. Tsymbal, and Christian
Binek, "Ferroelectric control of magnetism in BaTiO3/Fe heterostructures via interface strain coupling", Phys.
Rev. B 76, 092108 (2007).
60. Jianjun Liu, Yucheng Sui, Chun-gang Duan, W. N. Mei, Robert W. Smith, and John R. Hardy "CaCu3Ti4O12:
Low-Temperature Synthesis by Pyrolysis of an Organic Solution", Chemistry of Materials 18, 3878-3882
(2006).

61. Jing Lu, Renat F. Sabirianov, Wai Ning Mei, Yi Gao, Chun-gang Duan, and Xiaocheng Zeng, "Structural and
Magnetic Properties of Gd3N@C80", J. Phys. Chem. B 110, 23637-23640 (2006).

62. Jianjun Liu, E. P. Kharitonova, Chun-gang Duan, W. N. Mei,1 R. W. Smith, and J. R. Hardy, "Phase transition
in single crystal Cs2Nb4O11 ", J. Chemical Physics 122, 144503 (2005).

63. Jianjun Liu, Chun-gang Duan, Wei-Guo Yin, W. N. Mei, R. W. Smith, J. R. Hardy, "Large dielectric constant
and Maxwell-Wagner relaxation in Bi2/3Cu3Ti4O12", Phys. Rev. B 70, 144106 (2004).

64. Wei-Guo Yin, Jianjun Liu, Chun-gang Duan, W. N. Mei, R. W. Smith, J. R. Hardy, "Superionicity in Na3PO4:
A molecular dynamics simulation", Phys. Rev. B 70, 064302 (2004).

65. G. Y. Guo, K. C. Chu, Ding-sheng Wang and Chun-gang Duan, "Linear and nonlinear optical properties of
carbon nanotubes from first-principles calculations", Phys. Rev. B 69, 205416 (2004).

66. Jianjun Liu, Chun-gang Duan, Wei-Guo Yin, W. N. Mei, R. W. Smith, J. R. Hardy, "Dielectric permittivity and
electric modulus in Bi2Ti4O11", J. Chemical Physics 119, 2812 (2003).

67. Wei-guo Yin, W. N. Mei, Chun-gang Duan, Hai-Qing Lin, J. R. Hardy, "Spectral functions of the Falicov-
Kimball model with electronic ferroelectricity", Phys. Rev. B 68, 075111 (2003).

68. Wei-guo Yin, Chun-gang Duan, W. N. Mei, Jianjun Liu, R. W. Smith, J. R. Hardy, "Molecular dynamics
simulation of the order-disorder phase transition in solid NaNO2", Phys. Rev. B 68, 174106 (2003).

69. Jianjun Liu, Chun-gang Duan, W. N. Mei, R. W. Smith, J. R. Hardy, "Polymorphous transformations in
alkaline-earth silicates", J. Chemical Physics 116, 3864 (2002).

70. Jun Li, Chun-gang Duan, Zong-quan Gu, Ding-sheng Wang, "First-principles calculations of the electronic
structure and optical properties of LiB3O5, CsB3O5, and BaB2O4 crystals", Phys. Rev. B 57, 6925 (1998).

71. 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).

72. C. P. Sun, Jianjun Liu, J. -Y. Lin, Chun-gang Duan, W. N. Mei, and H. D. Yang, "A low-temperature specific
heat study of giant dielectric constant materials", J. Phys.: Condens. Matt. 20, 285214 (2008).

73. Ning Wu, R.F. Sabirianov, Chun-gang Duan, W. N. Mei, David Wisbey, Ya. B. Losovyj, M. Manno, L. Wang,
C. Leighton, En Cai, Jiandi Zhang and P. A. Dowben, "The Surface Stability of CoS2 (100)", J. Phys.: Condens.
Matt. 20, 215231 (2008).

74. J. P. Velev, Chun-Gang Duan, K. D. Belashchenko, S. S. Jaswal, and E. Y. Tsymbal, "Electron transport in
Fe/BaTiO3/Fe multiferroic tunnel junctions", J. Appl. Phys. 103, 07A701 (2008).

75. Jianjun Liu, Chun-gang Duan, W. N. Mei, R. W. Smith, J. R. Hardy, "Dielectric properties and Maxwell-
Wagner relaxation of compounds ACu3Ti4O12 (A=Ca, Bi2/3, Y2/3, La2/3)", J. Appl. Phys., 98, 093703 (2005).

76. G. Y. Guo, K. C. Chu, Ding-sheng Wang and Chun-gang Duan, "Static polarizability of carbon nanotubes: ab
initio independent-particle calculations", Computational Materials Science 30, 269 (2004).

77. Jianjun Liu, Chun-gang Duan, W. N. Mei, R. W. Smith, J. R. Hardy, "Order-Disorder Structural Phase
Transitions in Alkali Perchlorates", J. Solid State Chemistry 163, 294 (2002).
78. 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", J. Physics and Chemistry of Solids 63, 409 (2002).

79. 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", J. Solid State Chemistry 160, 222 (2001).

80. 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).

81. 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 Bulletin 36, 2035 (2001).

82. 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).

83. 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).