[01] J. Gao, Yifeng Duan*, C. Zhao, W. Liu, H. Dong, D. Zhang and H. Dong, Prediction of new ZnS-CaS alloys with anomalous electronic properties, Journal of Materials Chemistry C, 7, 1246 (2019) (2019 JMCC Hot Paper).
[02] C. Zhao, Yifeng Duan*, J. Gao, W. Liu, H. Dong, H. Dong,† D. Zhang, and Artem R. Oganov‡, Unexpected Stable Phases of Tungsten Borides, Physical Chemistry Chemical Physics, 20, 24665-24670 (2018) (2018 PCCP Hot Paper).
[03] A. G. Kvashnin, H. A. Zakaryan, C. Zhao, Yifeng Duan, Y. A. Kvashnina, C. Xie, H. Dong, and Artem R. Oganov, New Tungsten Borides, their Stability and Outstanding Mechanical Properties, Journal of Physical Chemistry Letters, 9, 3470-3477 (2018).
[1] Yifeng Duan*, Lixia Qin, Gang Tang and Liwei Shi, First-principles study of ground- and metastable-state properties of XO (X=Be, Mg, Ca, Sr, Ba, Zn and Cd), European Physical Journal B 66, 201 (2008). (67 Citations; One of the most-cited Papers of EPJB)
[2] Yifeng Duan*, Lixia Qin, Liwei Shi, Gang Tang and Hongliang Shi, Hybrid density functional theory study of band gap tuning in AlN and GaN through equibiaxial strains, Applied Physics Letters 100, 022104 (2012). (18 Citations)
[3] Yifeng Duan*, Gang Tang, Changqing Chen, Tianjian Lu and Zhigang Wu, First-principles investigations of ferroelectricity and piezoelectricity in BaTiO3/PbTiO3 superlattices, Physical Review B 85, 054108 (2012). (15 Citations)
[4] Yifeng Duan*, Lixia Qin and Hanyu Liu, Metadynamics investigations of the AlN/GaN superlattice, Europhysics Letters(EPL) 114, 46002 (2016).
[5] Yifeng Duan*, Lixia Qin and Hanyu Liu, Different evolutionary pathways from B4 to B1 phase in AlN and InN: metadynamics investigations, Journal of Physics: Condensed Matter 28, 205403 (2016). (5 Citations)
[6] Yifeng Duan*, Dong Lv, Kun Liu, Hongbo Wu, Lixia Qin, Liwei Shi and Gang Tang, Strain-induced structural, band-structure and piezoelectric evolutions in Al0.5Ga0.5N alloy, Journal of Applied Physics 117, 045711 (2015).(3 Citations)
[7] Yifeng Duan*, Lixia Qin, Liwei Shi, Gang Tang and Hongliang Shi, Anomalous structural transformation, spontaneous polarization, piezoelectric response, and band structure of semiconductor aluminum nitride under hydrostatic pressure, Journal of Applied Physics 110, 103712 (2011).(12 Citations)
[8] Yifeng Duan*, Lixia Qin, Gang Tang and Changqing Chen, Influence of in-plane biaxial stress on the structural properties, ferroelectric response, and piezoelectricity of tetragonal PbTiO3, Journal of Applied Physics 105, 033706 (2009).(7 Citations)
[9] Yifeng Duan, Jingbo Li, Shu-shen Li and Jian-Bai Xia, Elasticity, band-gap bowing and polarization of AlxGa1-xN alloys, Journal of Applied Physics 103, 023705 (2008). (40 Citations)
[10] Yifeng Duan, Jingbo Li, Shu-shen Li, Jian-Bai Xia and Changqing Chen, Abnormal ferroelectric response and enhancement of piezoelectricity of PbTiO3 under uniaxial compression, Journal of Applied Physics 103, 083713 (2008). (14 Citations)
[11] Yifeng Duan*, Lixia Qin, Liwei Shi, Gang Tang and Hongliang Shi, Phase transition and band-structure tuning in InN through uniaxial and biaxial strains, Journal of Physics: Condensed Matter 26 , 025501 (2014). (8 Citations, Labtalk論文)
[12] L. Qin, Yifeng Duan*, et. al, Hybrid density functional theory studies of AlN and GaN under uniaxial strain, Journal of Physics: Condensed Matter 25, 045801 (2013).(21 Citations)
[13] Yifeng Duan*, Hongliang Shi and Lixia Qin, Studies of tetragonal PbTiO3 subjected to uniaxial stress along the c axis, Journal of Physics: Condensed Matter 20, 175210 (2008). (19 Citations)
[14] Yifeng Duan*, Hongliang Shi and Lixia Qin, Elasticity, band structure and piezoelectricity of BexZn1-xO alloys, Physics Letters A 372, 2930 (2008). (31 Citations)
1. Jie Gao, Yifeng Duan*, Changming Zhao, Wenjie Liu, Haiming Dong, Dekun Zhang and Huafeng Dong, Prediction of new ZnS-CaS alloys with anomalous electronic properties, Journal of Materials Chemistry C, 7, 1246 (2019).
2. Changming Zhao, Yifeng Duan,∗ Jie Gao, Wenjie Liu, Haiming Dong, Huafeng Dong,† Dekun Zhang, and Artem R. Oganov‡, Unexpected Stable Phases of Tungsten Borides, Physical Chemistry Chemical Physics, 20, 24665-24670 (2018).
3. Changming Zhao, Yifeng Duan*, Jie Gao, and Huafeng Dong, Crystal and band structures of ZnS, MgS, and ZnS-MgS alloys, Journal of Applied Physics 121, 235705 (2017).
4. Hongbo Wu, Yifeng Duan*, Kun Liu, Dong Lv, Lixia Qin, Liwei Shi, Gang Tang, First-principles study of phase transition and band structure of ZrO2 under pressure, Journal of Alloys and Compounds 645, 352-357 (2015).
5. Dong Lv, Yifeng Duan*, Botao Zhao, Lixia Qin, Liwei Shi, Gang Tang and Hongliang Shi, Comparing the effects of uniaxial and biaxial strains on the structural stability and electronic structure in wurtzite ZnS, Journal of Applied Physics 114, 023514 (2013).
6. Hongbo Wu, Yifeng Duan*, Changming Zhao, Kun Liu and Lixia Qin,First-Principles Investigations of Pb0.5Ba0.5TiO3 Alloys Based on Structure Predictions, Chinese Physics Letters 33(4), 047701 (2016).
7. Hongbo Wu, Yifeng Duan*, Kun Liu, Dong Lv, Lixia Qin, Liwei Shi and Gang Tang, Dynamic Investigations of Pressure-Induced Abnormal Phase Transitions in PbTiO3, Chinese Physics Letters 32(5), 057701 (2015).
8. Kun Liu, Yifeng Duan*, Hongbo Wu, Lixia Qin, Liwei Shi and Gang Tang, Pressure-Induced Cubic-to-Hexagonal Phase Transition in Cu2O, Chinese Physics Letters 31(11), 117701 (2014).
9. Botao Zhao, Yifeng Duan*, Hongliang Shi, Liwei Shi and Gang Tang, A Hybrid Density Functional Theory Study of Band Gap Tuning in ZnO through Pressure Chinese Physics Letters 29(11) 117104 (2012).