Electronic Structure of InTaO_4 with Monoclinic Structure

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著者

    • MATSUSHIMA Shigenori
    • Department of Materials Science and Chemical Engineering, Kitakyushu National College of Technology
    • ARAI Masao
    • Advanced Materials Laboratory (AML), National Institute of Materials Science (NIMS)

抄録

From a first-principles band calculation, InTaO<SUB>4</SUB> is predicted to be an indirect-gap material, because the valence band maximum (VBM) is located in the middle point on the ZD line and the conduction band minimum (CBM) in the middle point on the DX line. The valence band with the width ca. 6.0 eV is mainly constructed from O 2p orbitals hybridized with In4d5s5p and Ta5d orbitals, whereas the lower conduction band is constructed from Ta5d orbitals.

収録刊行物

  • Chemistry letters

    Chemistry letters 32(1), 64-65, 2003-01-05

    The Chemical Society of Japan

参考文献:  8件中 1-8件 を表示

  • <no title>

    KUDO A.

    Shokubai 44, 308, 2002

    被引用文献1件

  • <no title>

    MOCHIDA M.

    Chem. Mater. 12, 812, 2000

    被引用文献1件

  • <no title>

    ZOU Z.

    Chem. Phys. Lett. 332, 271, 2000

    被引用文献4件

  • <no title>

    BLAHA P.

    WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties, 2001

    被引用文献10件

  • <no title>

    PERDEW J. P.

    Phys. Rev. Lett. 77, 3865, 1996

    被引用文献45件

  • <no title>

    KOBAYASHI K.

    Jpn. J. Appl. Phys. 31, L1079, 1992

    被引用文献1件

  • <no title>

    HARNEIT O.

    J. Alloys Compd. 194, 101, 1993

    被引用文献1件

  • <no title>

    BRIXNER L. H.

    Mater. Res. Bull. 15, 607, 1980

    被引用文献1件

各種コード

  • NII論文ID(NAID)
    10012813220
  • NII書誌ID(NCID)
    AA00603318
  • 本文言語コード
    ENG
  • 資料種別
    SHO
  • ISSN
    03667022
  • データ提供元
    CJP書誌  J-STAGE 
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