Molecular electronic states in charge transfer complex studied by x-ray absorption spectroscopy

被引：1
|
作者：
Takahashi, Y. [1 ,2 ]
Nakao, H. [1 ,2 ]
Kumai, R. [1 ,2 ,3 ]
Ishibashi, S. [2 ,4 ]
Horiuchi, S. [2 ,3 ]
Kohyama, M. [5 ]
Kobayashi, K. [1 ]
Yamasaki, Y. [1 ]
Okamoto, J. [1 ]
Sudayama, T. [1 ]
Murakami, Y. [1 ]
Tokura, Y. [6 ,7 ]
机构：
[1] High Energy Accelerator Res Org KEK, Inst Mat Struct Sci, Condensed Matter Res Ctr, Tsukuba, Ibaraki 3050801, Japan
[2] JST, CREST, Tokyo 1020076, Japan
[3] Natl Inst Adv Ind Sci & Technol, Flexible Elect Res Ctr FLEC, Tsukuba, Ibaraki 3058562, Japan
[4] Res Inst Computat Sci RICS, AIST, Tsukuba, Ibaraki 3058568, Japan
[5] Res Inst Ubiquitous Energy Devices UBIQEN, AIST, Osaka 5638577, Japan
[6] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan
[7] RIKEN Ctr Emergent Matter Sci CEMS, Wako, Saitama 3510198, Japan
来源：
1ST CONFERENCE ON LIGHT AND PARTICLE BEAMS IN MATERIALS SCIENCE 2013 (LPBMS2013) | 2014年 / 502卷
基金：
日本科学技术振兴机构; 日本学术振兴会;
关键词：
D O I：
10.1088/1742-6596/502/1/012036
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The electronic states of tetrathiafulvalene (TTF: TTF = C6H4S4) molecule in organic ferroelectric TTF-p-bromanil (TTF-BA: BA = C6Br4O2) and TTF crystals have been investigated by x-ray absorption spectroscopy (XAS) measurement at S K-edge. We elucidated that the peak structure at 2470.5 eV directly reflects the existence of hole in the highest occupied molecular orbital (HOMO) state of the TTF molecule in TTF-BA; that is consistent with the ionic TTF molecule (TTF+). The XAS of TTF-BA was evaluated on the basis of first-principles calculations, and the calculated spectra reproduce well the shape of experimental spectrum and the peak energy of the HOMO state.
引用
收藏
页数：4
相关论文
共 50 条
  • [1] Molecular electronic states in charge transfer complex studied by x-ray absorption spectroscopy
    20141917696028
    (1) Condensed Matter Research Center and Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK), Tsukuba, 305-0801, Japan; (2) CREST, Japan Science and Technology Agency (JST), Tokyo 102-0076, Japan; (3) Flexible Electronics Research Center (FLEC), National Institute of Advanced Industrial Science and Technology (AIST), 305-8562, Tsukuba, Japan; (4) Research Institute for Computational Sciences (RICS), AIST, 305-8568 Tsukuba, Japan; (5) Research Institute for Ubiquitous Energy Devices (UBIQEN), AIST, Osaka 563-8577, Japan; (6) Department of Applied Physics, University of Tokyo, 113-8656, Tokyo, Japan; (7) RIKEN Center for Emergent Matter Science (CEMS), Wako 351-0198, Japan, 1600, (IOP Publishing Ltd):
  • [2] Electronic Structure of Sulfur Studied by X-ray Absorption and Emission Spectroscopy
    Mori, R. Alonso
    Paris, E.
    Giuli, G.
    Eeckhout, S. G.
    Kavcic, M.
    Zitnik, M.
    Bucar, K.
    Pettersson, L. G. M.
    Glatzel, P.
    ANALYTICAL CHEMISTRY, 2009, 81 (15) : 6516 - 6525
  • [3] Unoccupied states and charge transfer in Cu-Pd alloys studied by bremsstrahlung isochromat spectroscopy, x-ray photoelectron spectroscopy, and LIII absorption spectroscopy
    Phys Rev B, 23 (16443):
  • [4] Unoccupied states and charge transfer in Cu-Pd alloys studied by bremsstrahlung isochromat spectroscopy, x-ray photoelectron spectroscopy, and L(III) absorption spectroscopy
    Cho, EJ
    Lee, S
    Oh, SJ
    Han, M
    Lee, YS
    Whang, CN
    PHYSICAL REVIEW B, 1995, 52 (23): : 16443 - 16450
  • [5] Ultrafast charge transfer and nuclear dynamics studied with resonant X-ray spectroscopy
    A. Föhlisch
    Applied Physics A, 2006, 85 : 351 - 359
  • [6] Ultrafast charge transfer and nuclear dynamics studied with resonant X-ray spectroscopy
    Foehlisch, A.
    APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2006, 85 (04): : 351 - 359
  • [7] Unoccupied states and the charge transfer in Cu-Pt alloys studied by bremsstrahlung isochromat spectroscopy and X-ray photoelectron spectroscopy
    Cho, EJ
    Oh, SJ
    JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 1997, 31 (02) : 323 - 328
  • [8] Electronic and magnetic properties of MnAs nanoclusters studied by x-ray absorption spectroscopy and x-ray magnetic circular dichroism
    Okabayashi, J
    Mizuguchi, M
    Oshima, M
    Shimizu, H
    Tanaka, M
    Yuri, M
    Chen, CT
    APPLIED PHYSICS LETTERS, 2003, 83 (26) : 5485 - 5487
  • [9] Bromine metallization studied by X-ray absorption spectroscopy
    San Miguel, A
    Libotte, H
    Gaspard, JP
    Gauthier, M
    Itié, JP
    Polian, A
    EUROPEAN PHYSICAL JOURNAL B, 2000, 17 (02): : 227 - 233
  • [10] Bromine metallization studied by X-ray absorption spectroscopy
    A. San Miguel
    H. Libotte
    J.P. Gaspard
    M. Gauthier
    J.P. Itié
    A. Polian
    The European Physical Journal B - Condensed Matter and Complex Systems, 2000, 17 : 227 - 233
12345