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	1. Crystal structure and magnetic properties of Ga2-xFexO3
	YAN Hui,TANG Weihua
	Physics 13 December 2017
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	Abstract:GaFeO3 bulks with x from 0.7 to 1.3 have been fabricated by using classic solid-state route. The structural, optical, and magnetic properties have been investigated systematically. The results of EDX demonstrated that the Fe content can be obtained by adjusting the Fe content in the powders. XRD spectra and FULLPROF profile fitting indicated that GFO bulks belong to the orthorhombic structure with space group Pc21n. Phase separation appeared at the Fe content of x=1.3. Meanwhile, the magnetic property measurements suggested that GaFeO3 is ferromagnetic, and magnetic properties can be enhanced by increasing the Fe content, which is of vital importance for the application of ferromagnetic semiconductors.
	TO cite this article:YAN Hui,TANG Weihua. Crystal structure and magnetic properties of Ga2-xFexO3[OL].[13 December 2017] http://en.paper.edu.cn/en_releasepaper/content/4742664


	2. Theoretical study of EPR spectra and local structure of trigonal [Cr(H2O)6]3+ complex in GASH:Cr3+ and AlCl3•6H2O:Cr3+ systems at different temperatures
	Li Yan-Fang,Kuang Xiao-Yu
	Physics 26 September 2008
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	Abstract:The electron paramagnetic resonance (EPR) parameters and local structure of the octahedral [Cr(H2O)6]3+ complex for Cr3+ doped in GASH and AlCl36H2O crystals with trigonal symmetry have been studied on the basis of the 120120 complete energy matrices, respectively. By simulating the EPR and optical spectra, the local structure distortion parameters △R = 0.0765-0.0803 Å, △Z = 0.0453-0.0462 Å for Cr3+ in GASH (I); △R = 0.0716-0.0754 Å, △Z = 0.0358-0.0374 Å for Cr3+ in GASH (II); and △R = 0.0725-0.0775 Å, △θ= 0.0903-0.0859 for Cr3+ in AlCl3•6H2O are determined in the temperature range 4.2-297 K. The calculated results show that the local structure of [Cr(H2O)6]3+ octahedron exhibits an elongation distortion. Moreover, the temperature dependence of the local structure has been discussed and the interrelation between the g-factors and orbit reduction factor K has also been studied.
	TO cite this article:Li Yan-Fang,Kuang Xiao-Yu. Theoretical study of EPR spectra and local structure of trigonal [Cr(H2O)6]3+ complex in GASH:Cr3+ and AlCl3•6H2O:Cr3+ systems at different temperatures[OL].[26 September 2008] http://en.paper.edu.cn/en_releasepaper/content/24413


	3. Local Molecular Structure of (MnO6)10- coordination complex for Mn2+ ions in A{[(CH3)2N]2OPOPO[N(CH3)2]2}(ClO4)2:Mn2+ (A=Mg, Zn): a Complete Energy Matrices Study
	Lu Cheng,Kuang Xiao-Yu,Zhou Kuang-Wei
	Physics 18 July 2008
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	Abstract:A simple theoretical method is introduced for studying the local molecular structure of (MnO6)10- coordination complex. By diagonalizing the complete energy matrices of the electron-electron repulsion, the ligand field and the spin-orbit coupling for d5 configuration ion in a trigonal ligand field, the local distortion structure of (MnO6)10- coordination complex for Mn2+ ions in A{[(CH3)2N]2OPOPO[N(CH3)2]2}(ClO4)2: Mn2+ (A=Mg, Zn) complex systems are investigated. Both the second-order zero-field splitting parameter b20 and the fourth-order zero-field splitting parameter b40 are taken simultaneously in the structural investigation. From the EPR calculations, the local structure parameters R=2.180Å, θ=56.384° for Mn2+ ions in Mg{[(CH3)2N]2OPOPO[N(CH3)2]2}(ClO4)2:Mn2+ and R=2.199Å, θ=56.520° for Mn2+ ions in Zn{[(CH3)2N]2OPOPO[N(CH3)2]2}(ClO4)2:Mn2+ complex systems are determined, respectively. It is found that the theoretical calculation results of the EPR spectra for Mn2+ ions in A{[(CH3)2N]2OPOPO[N(CH3)2]2}(ClO4)2:Mn2+ (A=Mg, Zn) complex systems are in good agreement with the experimental values.
	TO cite this article:Lu Cheng,Kuang Xiao-Yu,Zhou Kuang-Wei. Local Molecular Structure of (MnO6)10- coordination complex for Mn2+ ions in A{[(CH3)2N]2OPOPO[N(CH3)2]2}(ClO4)2:Mn2+ (A=Mg, Zn): a Complete Energy Matrices Study[OL].[18 July 2008] http://en.paper.edu.cn/en_releasepaper/content/22948


	4. Geometrical Structures and Electronic Properties of Si-doped TiO2
	Yang Kesong ,Dai Ying,Huang Baibiao
	Physics 24 January 2008
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	Abstract:We have investigated the geometrical structures and electronic properties of Si-doped anatase and rutile TiO2 using spin-polarized density functional theory calculations based on the plane-wave method. Our calculated results show that the valence band maximum has a little raise in substitutional Si to O doped anatase and rutile TiO2, and the Fermi level is pinned in the conduction band edge, indicating typical n-type characteristic of semiconductor. In substitutional Si to O doped anatase TiO2, the transition of electrons excited form the valence band to the conduction band above the Fermi level may induce a redshift of optical absorption edge, while the electron transition energy has no obvious decrease in substitutional Si to O doped rutile TiO2. In substitutional Si to Ti doped anatase TiO2, the electron transition energy from the valence band to the conduction band has a decrease about 0.25eV, which may be responsible for the experimental redshift of optical absorption edge. A decrease of excitation energy about 0.2eV is also observed in substitutional Si to Ti doped rutile TiO2. Our results also indicated that the synthesis substitutional Si to Ti doped anatase and rutile TiO2 is preferred under both O-rich and Ti-rich growth conditions.
	TO cite this article:Yang Kesong ,Dai Ying,Huang Baibiao. Geometrical Structures and Electronic Properties of Si-doped TiO2[OL].[24 January 2008] http://en.paper.edu.cn/en_releasepaper/content/18333


	5. Implementation of a Multiple Round Quantum Dense Coding Using
	Jing-Fu Zhang,Jingyi Xie,Chuan Wang
	Physics 21 February 2005
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	Abstract:A multiple round quantum dense coding scheme based on the quantum phase estimation algorithm is proposed and implemented in a three- qubit nuclear magnetic resonance (NMR) quantum computer. Using an $m+1$ qubit system, Bob can transmit one of $2^{m+1}$ messages to Alice, through manipulating only one qubit and exchanging it between Alice and Bob for $m$ rounds. The information capacity is enhanced to $m+1$ bits as compared to $m$ bits in a classical scheme. The scheme has been demonstrated in NMR system, and the experimental results show a good agreement between theory and experiment.
	TO cite this article:Jing-Fu Zhang,Jingyi Xie,Chuan Wang. Implementation of a Multiple Round Quantum Dense Coding Using[OL].[21 February 2005] http://en.paper.edu.cn/en_releasepaper/content/1575

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