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	1. Effects of contact geometry and nitrogen atoms on the electronic transport properties of Phenazine Compounds
	ZHAO Jingfen,ZOU Dongqing,LIU Desheng
	Physics 29 April 2017
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	Abstract:By using the nonequilibrium Green's function formalism in combination with the density functional theory, we have studied the electronic transport properties of three phenazine derivatives which are linked to gold electrodes through thiol-gold bonds. We can see that the currents through the top configurations are remarkably larger than that of hollow ones. That is to say, the contact position does affect the electronic transport properties. We also find that the molecule devices exhibited negative differential resistance phenomenon when the metal-molecule contact model is top. The mechanisms are proposed for these phenomena.
	TO cite this article:ZHAO Jingfen,ZOU Dongqing,LIU Desheng. Effects of contact geometry and nitrogen atoms on the electronic transport properties of Phenazine Compounds [OL].[29 April 2017] http://en.paper.edu.cn/en_releasepaper/content/4725643


	2. Study on the Growth of large size Nd:YAG laser crystal
	Quan Jiliang,Ma Decai,Wang Biao
	Physics 19 April 2017
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	Abstract:Neodymium-doped yttrium aluminum garnet (Nd:YAG) which is one of the most popular laser crystals has been widely used in solid state laser. Nd: YAG crystals with the diameter of 80 mm are grown by Czochralski (CZ) method. The up-weighing automatic diameter control (ADC) system is used to obtain the good quality of large diameter Nd:YAG crystals. Four common defects of Nd:YAG crystals are analyzed by adjusting the growth parameters and optimizing the thermal environment. Perfect Nd:YAG crystal with diameter of 80mm and lengh of 350 mm has been obtained successfully in this work.
	TO cite this article:Quan Jiliang,Ma Decai,Wang Biao. Study on the Growth of large size Nd:YAG laser crystal[OL].[19 April 2017] http://en.paper.edu.cn/en_releasepaper/content/4725714

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	3. Selective growth of Ruddlesden-Popper strontium iridate epitaxial films by controlling oxygen partial pressure in pulsed laser deposition
	CHEN Binjie,YANG Nan,ZHONG Ni,TANG Xiaodong,YANG Pingxiong,XIANG Pinghua,DUAN Chungang
	Physics 17 April 2017
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	Abstract:The Ruddlesden-Popper (RP)-type strontium iridate (SrIrO3 and Sr2IrO4) epitaxial thin films are selectively grown from a single Sr2IrO4 target using pulsed laser deposition. The stabilization of the SrIrO3 and Sr2IrO4 phase is sensitive to oxygen partial pressure (PO2). Low laser fluence tends to expand the growth window of pure Sr2IrO4 films. The lower PO2 (≤2.6 Pa) is preferred for preparing Sr2IrO4 films, while the SrIrO3 phase forms at higher PO2 (≥6.5 Pa). The growth diagram for SrIrO3 and Sr2IrO4 films has been summarized, providing a powerful guideline for fabricating the epitaxial films of single RP-type strontium iridate phase.
	TO cite this article:CHEN Binjie,YANG Nan,ZHONG Ni, et al. Selective growth of Ruddlesden-Popper strontium iridate epitaxial films by controlling oxygen partial pressure in pulsed laser deposition[OL].[17 April 2017] http://en.paper.edu.cn/en_releasepaper/content/4725948


	4. First-Principle Investigations on the Solid Strengthening Mechanism of Si in Cr2AlC
	WangRuili,NiuYuan,Xiao Liou
	Physics 12 April 2017
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	Abstract:The first-principle method was used to investigate structural, elastic, and electronic properties of Cr2Al1-xSixC (x=0, 0.056, 0.111,0.167) to understand the solid strengthening mechanism. The calculated lattice constant (a and c) of Cr2AlC is in good agreement with the experimental results (within 2%), and the bulk modulus illustrates higher value after the incorporation of Si. Theoretical calculation of electronic properties reveals that the solid solution strengthening in Cr2Al1-xSixC is mainly caused by stronger hybridization bonds between Cr and Si atoms compared with those between Cr and Al atoms, leading to a denser electron charge distribution, higher bulk modulus, and also resulting in higher mechanical properties.
	TO cite this article:WangRuili,NiuYuan,Xiao Liou. First-Principle Investigations on the Solid Strengthening Mechanism of Si in Cr2AlC[OL].[12 April 2017] http://en.paper.edu.cn/en_releasepaper/content/4724428


	5. Localized states emission in type-I GaAsSb/AlGaAs multiple quantum wells grown by molecular beam epitaxy
	GE Xiaotian,WANG Dengkui,GAO Xian,FANG Xuan,NIU Shouzhu,GAO Hongyi,TANG Jilong,WANG Xiaohua,WEI Zhipeng,CHEN Rui
	Physics 27 November 2016
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	Abstract:GaAs0.92Sb0.08/Al0.2Ga0.8As MQWs was grown by molecular beam epitaxy. Temperature and excitation power dependent photoluminescence (PL) of the MQWs were investigated in detail. The PL spectra showed a unique emission evolution. Two competitive peaks were observed from 40 to 90 K in temperature dependent PL spectra. The peak located at low energy shoulder was confirmed to be localized states emission (LE) by the long tail and the inverted S-shaped emission band width obtained from the temperature dependent emission. The high energy side peak was confirmed to be free carrier emission by Varshni equation fitting. It is observed that the LE peak exhibited blue shift with the increase of laser excitation power, which can be ascribed to the band filling effect of localized states. As a result, the localized states in GaAs0.92Sb0.08/Al0.2Ga0.8As MQWs have been confirmed and explained by carrier dynamics.
	TO cite this article:GE Xiaotian,WANG Dengkui,GAO Xian, et al. Localized states emission in type-I GaAsSb/AlGaAs multiple quantum wells grown by molecular beam epitaxy[OL].[27 November 2016] http://en.paper.edu.cn/en_releasepaper/content/4711855


	6. First principle study of the lattice dynamic and thermodynamic properties of Zn-based semiconductors with wurtzite structure
	KANG Yunsong,ZHAO Guojun,LIANG Xixia
	Physics 08 November 2016
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	Abstract:The first-principle calculations for the structural, dynamic and thermodynamic properties of the IIB-VIA Zn-based compound semiconductors ZnX (X=O, S, Se, Te) with wurtzite structure are preformed in this work. The density-functional perturbation theory are applied to obtain the Born effective charge tensors, the phonon dispersion curves, as well as corresponding density of states. The results shows that the Born effective charge tensors are anisotropic and exhibit the anisotropy of material itself. The calculated phonon frequencies of ZnO and ZnS at Γ point and along high symmetry directions are in agreement with other calculations and experimental data. The phonon contributions to the internal energy, free energy, entropy and specific heat are determined within the harmonic approximation based on the calculated phonon dispersion relations. The calculated results of entropy are slightly larger than the experimental values by about 4.5%, since the effects of anharmonicity are ignored and the theoretical lattice constants are used in the calculations.
	TO cite this article:KANG Yunsong,ZHAO Guojun,LIANG Xixia. First principle study of the lattice dynamic and thermodynamic properties of Zn-based semiconductors with wurtzite structure[OL].[ 8 November 2016] http://en.paper.edu.cn/en_releasepaper/content/4709572


	7. Investigation of raw-material pre-milling effection physical properties of BaTiO3 piezoelectric ceramics
	SUN Dandan,ZHANG Jialiang,WU Yanqing,ZHANG Zhongqiu,LIU Dakang
	Physics 12 October 2016
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	Abstract:This paper reports our investigation result about the pre-milling treatment effect of BaCO3 powder on physical properties of the resultant BaTiO3 ceramics prepared by conventional solid-state reaction. BaCO3 powder usually consists of large rod-shaped particles, which cannot be easily broken up into fine ones when ball-milled together with TiO2 powder. This may lead to chemical compositional non-uniformity and large particle sizes of the subsequently synthesized BaTiO3 powder, and may eventually affect microstructure and piezoelectric properties of the resultant BaTiO3 ceramics. Our study showed that an additional ball-milling treatment of BaCO3 powderbefore being mixed with TiO2 powder is an effective mean to get good-quality BaTiO3 fine powder. In such a way, we fabricated a series of small-grained dense BaTiO3 ceramics with significantly high piezoelectric coefficient d33. A much enhanced d33 value of 470 pC/N was achieved in comparison to the previous maximum one of 410 pC/N for those BaTiO3 ceramics formed through ordinary ceramic procedure.
	TO cite this article:SUN Dandan,ZHANG Jialiang,WU Yanqing, et al. Investigation of raw-material pre-milling effection physical properties of BaTiO3 piezoelectric ceramics[OL].[12 October 2016] http://en.paper.edu.cn/en_releasepaper/content/4706769


	8. Plasmons in Nitrogen-doped graphene and gold film composite nanostructure
	Shu Xiaoqin
	Physics 24 June 2016
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	Abstract:Using time depended density function theory(TDDFT), the absorption spectra of the Nitrogen-doped graphene and gold film composite nanostructure when the pulse excitation polarized in the X-axis, Y-axis, Z-axis direction, respectively. When the pulse excitation polarized in the X-axis and Y-axis direction the energy points are in the visible region. The induced charge density distribution indicates the charge transform plasmon (CTP)mode. The material is expected to splitting water using visible light.
	TO cite this article:Shu Xiaoqin. Plasmons in Nitrogen-doped graphene and gold film composite nanostructure[OL].[24 June 2016] http://en.paper.edu.cn/en_releasepaper/content/4698508


	9. Effect of amino on spin-dependent transport througha fused oligothiophenes molecular between graphene electrodes
	Liemao Cao,Guanghui Zhou
	Physics 05 June 2016
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	Abstract:The influence of chemical side groups is significant in physical orchemical understanding the transport through the single molecular junction.Motivated by the recent successful fabrication and measurement of asingle organic molecule sandwiched between graphene electrodes, herewe study the spin-dependent transport properties of a junction of afused oligothiophenes molecule embedded between two semi-infinitivelong ZGNR electrodes. The molecule with and without an attachedamino NH$_2$ side group is considered, respectively, and anexternal magnetic field or a FM stripe is applied onto the ZGNRs toinitially orient the magnetic alignment of the electrodes for thespin-dependent consideration. By the emph{ab initio} calculationsbased on the density functional theory combined with thenonequilibrium Green's function formalism, we have demonstrated theremarkable difference in the spin-charge transport property between thejunctions of the molecule with and without NH$_2$ side group. Inparticular, the junction with side group shows more obvious NDR. Inaddition, it exhibits an interesting dual spin-filtering effect whenthe magnetic alignment in electrodes is initiallyantiparallel-oriented. The mechanisms of the results are revealedand discussed in terms of the spin-resolved transmission spectrumassociated with the frontier molecular orbitals evolution, themolecular projected self-consistent Hamiltonian eigenvalues, and thelocal density of states.
	TO cite this article:Liemao Cao,Guanghui Zhou. Effect of amino on spin-dependent transport througha fused oligothiophenes molecular between graphene electrodes[OL].[ 5 June 2016] http://en.paper.edu.cn/en_releasepaper/content/4696991


	10. Effect of external electric field on electronic states andtransport for a Bi$_2$Se$_3$ film
	Genhua Liu,Benliang Zhou,Guanghui Zhou
	Physics 05 June 2016
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	Abstract:We study the electronic band structure, density distribution andelectronic transport of surface states in a Bi$_2$Se$_3$ film. Byusing the four-band model, it is demonstrated that an appropriateexternal electric field can eliminate the coupling between the topand bottom surface states of the film, and contribute to therealization of the quantum spin Hall effects. However, a sufficienthigh electric field may destroy the property of the surface states.Using the scattering matrix approach, we further study theoreticallythe spin-dependent electron transport of a Bi$_2$Se$_3$ thin-filmjunction under electric field. Interestingly, a transverse field canswitch on/off the spin-up or -down electronic channel of the surfacestates.
	TO cite this article:Genhua Liu,Benliang Zhou,Guanghui Zhou. Effect of external electric field on electronic states andtransport for a Bi$_2$Se$_3$ film[OL].[ 5 June 2016] http://en.paper.edu.cn/en_releasepaper/content/4696988

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