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	1. Teaching electromagnetics through advanced numerical simulations and virtual experiments
	YIN Wuliang,ZHAO Qian
	Physics 31 December 2014
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	Abstract:Electromagnetic field is an advanced topic which requires thinking in abstract terms and with imagination. This paper presents authors' experience in teaching electromagnetics at Tianjin University, China and demonstrates that this difficult subject can be tackled with the help of advanced numerical simulations and virtual experiments. Commercial simulation packages and in house developed software such as the Finite Elements Method (FEM), the Boundary Element Method (BEM) and an analytical method were used for this purpose. Overall, students have provided positive feedback for this teaching methodology.
	TO cite this article:YIN Wuliang,ZHAO Qian. Teaching electromagnetics through advanced numerical simulations and virtual experiments[OL].[31 December 2014] http://en.paper.edu.cn/en_releasepaper/content/4624647


	2. Isospin coupling-channel decomposition of nuclear symmetry energy in covariant density functional theory
	Zhao Qian,Sun Bao-Yuan,Long Wen-Hui
	Physics 19 November 2014
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	Abstract:The isospin coupling-channel decomposition of the potential energy density functional is carried out within the covariant density functional theory, and their isospin and density dependence in particular the influence on the symmetry energy is studied. It is found that both isospin-singlet and isospin-triplet components of the potential energy play the dominant role in deciding the symmetry energy, especially when the Fock diagram is introduced. The results illustrate a quite different mechanism to the origin of the symmetry energy from the microscopic Brueckner-Hartree-Fock theory, and demonstrate the importance of the Fork diagram, especially from the isoscalar mesons, in the isospin properties of the in-medium nuclear force at high density.
	TO cite this article:Zhao Qian,Sun Bao-Yuan,Long Wen-Hui. Isospin coupling-channel decomposition of nuclear symmetry energy in covariant density functional theory[J].

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	3. The structural and optical properties of Be-doped GaAs grown by MBE
	Huimin Jia,Zhipeng Wei,Liang Chang,Dan Fang,Jilong Tang,Xuan Fang,Xiaohua Wang,Xiaohui Ma
	Physics 29 July 2014
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	Abstract: In this paper, Be-doped GaAs were grown by molecular beam epitaxy (MBE), by changing Be resource temperature, we obtained different doping concentration GaAs samples. The morphologies and electrics properties of the samples were investigated by AFM and Hall measurement. Especially, in low temperature and temperature dependent PL spectra, the Be acceptor related emission were recognized, with the doping concentration increasing, the Be acceptor related emission enhanced too.
	TO cite this article:Huimin Jia,Zhipeng Wei,Liang Chang, et al. The structural and optical properties of Be-doped GaAs grown by MBE[OL].[29 July 2014] http://en.paper.edu.cn/en_releasepaper/content/4604845


	4. Using kinds of masks to create multiple patterns in photoreactive ternary blends
	PAN Jun-Xing, ZHANG Jin-Jun, WANG Bao-Feng, WU Hai-Shun, SUN Min-Na, GUO Yu-Qi
	Physics 13 June 2014
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	Abstract:Multi-component polymer mixtures with novel structures can exhibit novel physical properties and have a variety of potential applications in materials engineering. Via cell dynamical simulations, the phase behavior of three-component, photoreactive blends under different kinds of masks confinement has been studied systematically and multiple ordered defect-free morphologies have been obtained.Firstly, the sample is irradiated by light through various shaped masks, which make the C regions pinned and thereby promotes the self-assembly of A and B components into ordered domains.When the masks are removed, the photoreaction of the AB blend leads to different periodic patterns.These results provide an easy method to create hierarchically ordered, defect-free materials in experiment and engineering technology.
	TO cite this article:PAN Jun-Xing, ZHANG Jin-Jun, WANG Bao-Feng, WU Hai-Shun, SUN Min-Na, GUO Yu-Qi. Using kinds of masks to create multiple patterns in photoreactive ternary blends[J].


	5. Spin and band-gap engineering in zigzag graphene nanoribbons with methylene group
	Liang Xu,Lingling Wang,Weiqing Huang,Xiaofei Li,Wenzhi Xiao
	Physics 10 May 2014
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	Abstract:First-principles calculations have been used to investigate electronic and magnetic properties of zigzag graphene nanoribbon (ZGNR) with side-attached CH2 groups. The CH2 suppressed the magnetic states of pristine ZGNR within 12 ?. As the relative amount of CH2 decreases, the ZGNR with CH2 pairs located at each edge experiences a transition from a nonmagnetic state to an anti-ferromagnetic one. The energy gap opens in the nonmagnetic state. When only systems with a CH2 attached at one edge, they exhibit ferromagnetic or ferrimagnetic states depend on number of CH2. The pz orbital hybridization between the CH2 and edge carbons of ZGNRs is responsible for the opening band-gap. Therefore, the ZGNR provide a wide range of possible electronic and magnetic properties based on the same ribbon structure but different sites and numbers of CH2 groups.
	TO cite this article:Liang Xu,Lingling Wang,Weiqing Huang, et al. Spin and band-gap engineering in zigzag graphene nanoribbons with methylene group[J].


	6. Electronic and magnetic properties of transition metals doped B80 fullerene
	Li Ma,Jianguang Wang,yanhua Liang,Guanghou Wang
	Physics 23 April 2014
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	Abstract:Spin-polarized density-functional theory calculations have been carried out to investigate 3d, Pd and Pt transition metal (TM) atoms exohedrally and endohedrally doped B80 fullerene. We find that the most preferred doping site of the TM atom gradually moves from the outer surface (TM=Sc), to the inner surface (TM=Ti and V) and the center (TM=Cr, Mn, Fe and Zn), then to the outer surface (TM=Co, Ni, Cu, Pd and Pt) again with the TM atom varying from Sc to Pt. The magnetic moments of doped V, Cr, Mn, Fe, Co and Ni atoms are reduced from their free-atom values and other TM atoms are completely quenched. Charge transfer and hybridization between 4s and 3d states of TM and 2s and 2p states of B were observed. The energy gaps of TM@B80 are usually smaller than that of the pure B80. Endohedrally doped B80 fullerene with two Mn and two Fe atoms were also considered, respectively. It is found that the antiferromagnetic (AFM) state is more energetically favorable than the ferromagnetic (FM) state for Mn2- and Fe2@B80.
	TO cite this article:Li Ma,Jianguang Wang,yanhua Liang, et al. Electronic and magnetic properties of transition metals doped B80 fullerene[OL].[23 April 2014] http://en.paper.edu.cn/en_releasepaper/content/4594562


	7. Theoretical analysis of the double-layer emitter with different doping concentrations for a-Si:H/c-Si heterojunction solar cells
	HUANG Haibin,GAO Jiang,Wolfgang R. Fahrner,ZHOU Lang
	Physics 14 April 2014
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	Abstract:A new emitter structure containing two a-Si:H layers with different doping concentrations is designed for the a-Si:H/c-Si heterojunction solar cell. Based on an AFORS-HET simulation it is concluded that an efficiency of 26.0% （AM1.5） can be obtained by means of the new emitter structure. The operation mechanism of this improvement is analyzed. It is found that: 1) the double layer emitter enhances the internal electrical field and the carriers' drift velocity. In turn the quantum efficiency of the devices at short wavelengths and the short circuit current of the solar cells increase. 2) The tunneling probability at the interface of the transparent conductive oxide layer and the emitter is enhanced due to the heavier doped layers of the double-layer emitter. This reduces the series resistances.
	TO cite this article:HUANG Haibin,GAO Jiang,Wolfgang R. Fahrner, et al. Theoretical analysis of the double-layer emitter with different doping concentrations for a-Si:H/c-Si heterojunction solar cells[OL].[14 April 2014] http://en.paper.edu.cn/en_releasepaper/content/4593444


	8. Two-photon absorption in ZnO/ZnS and ZnO/ZnS/Ag core-shell quantum dots
	LIU Shuyu,ZHONG Mianzeng,MENG Xiuqing,LI Jingbo,WANG Yuanqian,XIAO Si,HE Jun,GAO Yongli
	Physics 12 April 2014
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	Abstract:We report on large two-photon absorption (TPA) in ZnO/ZnS and ZnO/ZnS/Ag core/shell quantum dots (QDs), determined by both Z-scan and pump-probe techniques with femtosecond laser pulses. The intrinsic TPA coefficients of ZnO-based core/shell QDs are enhanced with nearly three orders of magnitude compared to that of ZnO bulk counterpart, which is attributable to quantum confinement effect. The TPA cross-section of ZnO-based nanocomposites is determined to be ~4.3 × 10-44 cm4 s photon-1 at the wavelength of 660 nm. This value is at least two orders of magnitude greater than that of ZnS, ZnSe, and CdS QDs. Due to the local field effect, the nonlinear absorption in ZnO/ZnS core/shell QDs is improved as beaded with Ag nano-dots.
	TO cite this article:LIU Shuyu,ZHONG Mianzeng,MENG Xiuqing, et al. Two-photon absorption in ZnO/ZnS and ZnO/ZnS/Ag core-shell quantum dots[OL].[12 April 2014] http://en.paper.edu.cn/en_releasepaper/content/4593211


	9. Interfacial half-metallicity of the MnSb/GaSb heterojunction: A first-principles study
	Liu Na,Gao Guoying,Yao Kailun
	Physics 26 January 2014
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	Abstract:Motivated by growing zinc-blende half-metallic MnSb films for the first time by molecular beam epitaxy experimentally [Aldous et al., Phys. Rev. B 85, 060403(R) (2012)], using the first-principles approach based on density functional theory, we investigate the electronic structure and half-metallicity at the (001) and (111) interfaces of zinc-blende MnSb with semiconductor GaSb heterojunction. The calculated interfacial adhesion energies reveal that the (111)-Mn-Sb configuration is the most stable structure among the four studied configurations of MnSb/GaSb (001) and (111) interfaces, while the (001)-Sb-Ga configuration is the least favorable one. Moreover, the density of states projected on the interface atoms indicate that the four studied interfacial configurations exhibit robust or nearly half-metallicity, and the interface effects are not harmful for their half-metallicity, which makes zinc-blende MnSb a promising candidate for spin injection into semiconductor GaSb.
	TO cite this article:Liu Na,Gao Guoying,Yao Kailun. Interfacial half-metallicity of the MnSb/GaSb heterojunction: A first-principles study[OL].[26 January 2014] http://en.paper.edu.cn/en_releasepaper/content/4583894


	10. Significant interplay effect of silicon dopants on electronic properties in graphene
	Wei Xiaolin,Xiao huaping,Zhong jianxin
	Physics 24 January 2014
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	Abstract:Using first-principles calculations, we have systematically studied the effects of the interplay between Si dopants in graphene. Four stable Si-pair doping configurations have been predicted and investigated. It is shown that the Si dopants tend to agglomerate in graphene. In particular, the band structures can be remarkably modulated by the doping sites of Si atoms in graphene. With the change of the Si-Si distance, the electronic structures can be widely tuned to exhibit isotropic, direction-dependent, and semiconducting properties. Based on this unique interplay effect, we reveal two ordered C-Si alloys, CSi and C3Si. It is found that CSi has an indirect band gap of 2.5eV while C3Si still retains the Dirac features. Our results suggest that more remarkable electronic properties of graphene can be obtained by controllable tuning of the multi-doping of Si in graphene.
	TO cite this article:Wei Xiaolin,Xiao huaping,Zhong jianxin. Significant interplay effect of silicon dopants on electronic properties in graphene[OL].[24 January 2014] http://en.paper.edu.cn/en_releasepaper/content/4583055

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