The electronic structure of RbTiOPO4 and the effects of the A-site cation substitution in KTiOPO4-family crystals

被引：55
作者：
Atuchin, V. V. [1 ]
Kesler, V. G. [2 ]
Meng, Guangsi [3 ,4 ]
Lin, Z. S.
机构：
[1] SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090 90, Russia
[2] SB RAS, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, Novosibirsk 630090 90, Russia
[3] Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, BCCRD, Beijing 100190, Peoples R China
[4] Chinese Acad Sci, Univ Sci & Technol China, Key Lab Quantum Informat, Hefei 230026, Anhui, Peoples R China
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2012年 / 24卷 / 40期
关键词：
POTASSIUM TITANYL PHOSPHATE; CORE LEVELS; PHOTOELECTRON-SPECTROSCOPY; OPTICAL-PROPERTIES; BAND-STRUCTURE; PARAMETERS; SURFACE; GROWTH; KTP; TEMPERATURES;
D O I：
10.1088/0953-8984/24/40/405503
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The electronic structure of RbTiOPO4 has been investigated with x-ray photoemission spectroscopy. Detailed photoemission spectra of the element core levels have been recorded under excitation by nonmonochromatic Al K alpha radiation (1486.6 eV). The chemical bonding parameters are compared to those reported for complex titanates and phosphates. The band structures of KTiOPO4, RbTiOPO4, K0.535R0.465TiOPO4 and TlTiOPO4 have been calculated by ab initio methods and compared to available experimental results. It is found that the band structure of KTP-type phosphate crystals is weakly dependent on the nature of the A-site (A = K, Rb, Tl) element.
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页数：6
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共 51 条
  • [1] ELASTIC COEFFICIENTS OF KTIOPO4, RBTIOPO4, TLTIOPO4 CRYSTALS DETERMINED FROM MANDELSTAMM-BRILLOUIN LIGHT-SCATTERING SPECTRA
    ALEKSANDROV, VV
    VELICHKINA, TS
    VORONKOVA, VI
    KOLTSOVA, LV
    YAKOVLEV, IA
    YANOVSKII, VK
    [J]. SOLID STATE COMMUNICATIONS, 1989, 69 (09) : 877 - 881
  • [2] Structure of the RbTi0.98Zr0.02OPO4 single crystal at temperatures of 293 and 105 K
    Alekseeva, O. A.
    Dudka, A. P.
    Novikova, N. E.
    Sorokina, N. I.
    Agapova, E. I.
    Voronkova, V. I.
    [J]. CRYSTALLOGRAPHY REPORTS, 2008, 53 (04) : 557 - 564
  • [3] [Anonymous], 2004, J APPL CRYSTALLOGR, DOI DOI 10.1107/S0021889804015456
  • [4] Electronic and structural parameters of phosphorus-oxygen bonds in inorganic phosphate crystals
    Atuchin, V. V.
    Kesler, V. G.
    Pervukhina, N. V.
    [J]. SURFACE REVIEW AND LETTERS, 2008, 15 (04) : 391 - 399
  • [5] Electronic parameters of Sr2Nb2O7 and chemical bonding
    Atuchin, V. V.
    Grivel, J. -C.
    Korotkov, A. S.
    Zhang, Zhaoming
    [J]. JOURNAL OF SOLID STATE CHEMISTRY, 2008, 181 (06) : 1285 - 1291
  • [6] Structural and electronic properties of the KTiOAsO4(001) surface
    Atuchin, V. V.
    Isaenko, L. I.
    Khyzhun, O. Yu.
    Pokrovsky, L. D.
    Sinelnichenko, A. K.
    Zhurkov, S. A.
    [J]. OPTICAL MATERIALS, 2008, 30 (07) : 1149 - 1152
  • [7] Chemical shifts of atomic core levels and structure of K1-xTi1-xSbxOPO4, x=0-0.23, solid solutions
    Atuchin, V. V.
    Alekseeva, O. A.
    Kesler, V. G.
    Pokrovsky, L. D.
    Sorokina, N. I.
    Voronkova, V. I.
    [J]. JOURNAL OF SOLID STATE CHEMISTRY, 2006, 179 (08) : 2349 - 2355
  • [8] Electronic parameters and top surface chemical stability of RbPb2Br5
    Atuchin, V. V.
    Isaenko, L. I.
    Kesler, V. G.
    Pokrovsky, L. D.
    Tarasova, A. Yu
    [J]. MATERIALS CHEMISTRY AND PHYSICS, 2012, 132 (01) : 82 - 86
  • [9] Surface crystallography and electronic structure of potassium yttrium tungstate
    Atuchin, V. V.
    Pokrovsky, L. D.
    Khyzhun, O. Yu.
    Sinelnichenko, A. K.
    Ramana, C. V.
    [J]. JOURNAL OF APPLIED PHYSICS, 2008, 104 (03)
  • [10] Ti 2p and O 1s core levels and chemical bonding in titanium-bearing oxides
    Atuchin, Victor V.
    Kesler, Valery G.
    Pervukhina, Natalia V.
    Zhang, Zhaoming
    [J]. JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 2006, 152 (1-2) : 18 - 24
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