• Acta Photonica Sinica
  • Vol. 46, Issue 8, 816005 (2017)
BAI Hong-mei*, ZHANG Yun, and WANG Xue-wei
Author Affiliations
  • [in Chinese]
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    DOI: 10.3788/gzxb20174608.0816005 Cite this Article
    BAI Hong-mei, ZHANG Yun, WANG Xue-wei. Electronic Structures and Absorption Spectra of Cu∶Mn∶LiNbO3 Crystals Based on First-principles[J]. Acta Photonica Sinica, 2017, 46(8): 816005 Copy Citation Text show less
    References

    [1] ADIBI A, BUSE K, PSALTIS D. Two-center holographic recording[J]. Journal of the Optical Society of America, 2001, 18(5): 584-601.

    [2] LI X C, QU D X, ZHAO X J, et al. Nonvolatile holographic storage in triply doped LiNbO3:Hf, Fe, Mn crystals[J]. Chinese Physics B, 2013, 22(2): 251-254.

    [3] BUSE K, ADIBI A, PSALTIS D. Non-volatile holographic storage in doubly doped lithium niobate crystals[J]. Nature, 1998, 393(6686): 665-668.

    [4] LIU D, LIU L, ZHOU C, et al. Nonvolatile holograms in LiNbO3:Fe:Cu by use of the bleaching effect[J]. Applied Optics, 2002, 41(32): 6809-6814.

    [5] WANG W, WANG R, ZHANG W, et al. A computer study and photoelectric property analysis of potassium-doped lithium niobate single crystals[J]. Physical Chemistry Chemical Physics Pccp, 2013, 15(34): 14347-14356.

    [6] MAMOUN S, MERAD A E, GUIBERT L. Energy band gap and optical properties of lithium niobate from ab initio calculations[J]. Computational Materials Science, 2013, 79: 125-131.

    [7] HUANG D H, YANG J S, CAO Q L, et al. Effect of Mg and Fe doping on optical absorption of LiNbO3 crystal through first principles calculations[J]. Chinese Physics Letters, 2014, 31(3): 125-128.

    [8] SANG D D, WANG Q L, HAN C, et al. Electronic and optical properties of lithium niobate under high pressure: A first-principles study[J]. Chinese Physics B, 2015, 24(7): 420-425.

    [9] WANG Fan-hou, YANG Jun-sheng, HUANG Duo-hui, et al. Study on magnetic and optical properties of Mn-doped LiNbO3 by using the first principles[J]. Acta Physica Sinica, 2015, 64(9): 462-467.

    [10] ZHAO Bai-qiang, ZHANG Yun, QIU Xiao-yan, et al. First-principles study on the electronic structures and optical properties of Cu, Fe doped LiNbO3 crystals[J]. Acta Physica Sinica, 2016, 65(1): 173-180.

    [11] XU Y, XU W, LIU C, et al. Preparation of a new type of storage material Mn∶Cu∶LiNbO3[C]. Photonics Asia, 2002, 4930: 406-410.

    [12] ABRAHAMS S C, HAMILTON W C, REDDY J M. Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24℃[J]. Journal of Physics & Chemistry of Solids, 1966, 27(6-7): 1013-1018.

    [13] ZALDO C, PRIETO C. Lattice site of transition metal and rare-earth impurities in LiNbO3 single crystals[J]. Ferroelectrics, 1992, 134(1): 47-51.

    [15] PANKRATOV V, MILLERS D, GRIGORJEVA L, et al. The role of Fe and Cu dopants in electron-hole trapping and relaxation process in congruent LiNbO3[J]. Optical Materials, 2003, 22(22): 257-262.

    [16] CORRADI G, SOTHE H, SPAETH J M, et al. Mn2+ defects in LiNbO3: an electron nuclear double resonance (ENDOR) investigation of the Mn2+ site and the local disorder[J]. Journal of Physics Condensed Matter, 1990, 2(31): 543-547.

    [17] SIDOROV N V, YANIICHEV A A, GABAIN A A, et al. Photorefractive properties of lithium niobate single crystals doped with copper[J]. Journal of Applied Spectroscopy, 2013, 80(2): 226-231.

    [18] YANG Y P, PSALTIS D, LUENNEMANN M, et al. Photorefractive properties of lithium niobate crystals doped with manganese[J]. Journal of the Optical Society of America B, 2003, 20(7): 1491-1502.

    [19] SEGALL M D, LINDAN P J D, PROBERT M J, et al. First-principles simulation: ideas, illustrations and the CASTEP code[J]. Journal of Physics Condensed Matter, 2002, 14(11): 2717-2744.

    [20] HE Jing-fang, ZHENG Shu-kai, ZHOU Peng-li, et al. First-principles calculations on the electronic and optical properties of ZnO codoped with Cu-Co[J]. Acta Physica Sinica, 2014, 63(4): 247-253.

    [21] ZENG F, SHENG P, TANG G S, et al. Electronic structure and magnetism of Fe-doped LiNbO3[J]. Materials Chemistry & Physics, 2012, 136(2-3): 783-788.

    [22] YANG Zhi-huai, ZHANG Yun-peng, KANG Cui-ping, et al. The first-principles study of electronic and optical properties of co-Cr co-doped rutile TiO2[J]. Acta Photonica Sinica , 2014, 43(1): 144-152.

    [23] LEI Xiao-wei, LIN Zhu, ZHAO Hui. First principles study of Mn-doped LiNbO3[J]. Journal of Atomic and Molecular physics, 2010, 27(5): 1005-1010.

    [24] VEITHEN M, GONZE X, GHOSEZ P. First-principles study of the electro-optic effect in ferroelectric oxides.[J]. Physical Review Letters, 2004, 93(18): 187401-187404.

    [25] XU H, CHERNATYNSKIY A, LEE D, et al. Stability and charge transfer levels of extrinsic defects in LiNbO3[J]. Physical Review B Condensed Matter, 2010, 82(18): 4706-4712.

    [26] PAPE M, REYHER H J, SCHIRMER O F. Optically detected magnetic resonance of Cu, Fe and Mn defects in LiNbO3[J]. Journal of Physics Condensed Matter, 2005, 17(43): 6835-6848.

    [27] WANG Xue-yan, ZHENG Jian-bang, LI Xiao-jiang, et al. Electronic structures and optical properties of β-PTCDA based on the first-principles investigation[J]. Acta Photonica Sinica, 2016, 45(6): 0616001.

    [28] XU C, LENG X, MO Y, et al. Investigations on growth and two-wavelength holographic storage properties varied with RuO2, codoping in Fe:LiNbO3, crystals[J]. Journal of Crystal Growth, 2011, 318(1): 665-668.

    [29] ZHANG Yun, WANG Xue-wei, BAI Hong-mei. First-principles study on the electronic structures and the absorption spectra of In∶Mn∶LiNbO3 crystals[J]. Acta Physica Sinica, 2017, 66(2): 024208-024214.

    [30] HESSELINK L, ORLOV S S, LIU A, et al. Photorefractive materials for nonvolatile volume holographic data storage[J]. Science, 1998, 282(5391): 1089-1094.

    [31] SAITO Y, SHANG D Y, KITSUTAKA R, et al. Optical properties of Cu-implanted LiNbO3[J]. Journal of Applied Physics, 1997, 81(8): 3621-3626.

    [32] CHEN S, LIU X M, FU B, et al. Nonvolatiletwo-color holographic recording in near-stoichiometric lithium niobate crystals gated by incoherent ultraviolet light[J]. Chinese Optics Letters, 2009, 7(1): 67-69.

    BAI Hong-mei, ZHANG Yun, WANG Xue-wei. Electronic Structures and Absorption Spectra of Cu∶Mn∶LiNbO3 Crystals Based on First-principles[J]. Acta Photonica Sinica, 2017, 46(8): 816005
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