Electronic States of Copper Phthalocyanine Adsorbed on Si(001)2×1 Surface

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概要

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• Electronic states are calculsrted by the DV-Xa-LCAO rnetlnod f'or two tnodel cltrstersCuNgC33H35/81)57Hj)(5 and CuNgC3zH)(5/Sij.j5H)33 of the cojcjcer phthalocyanine rnolectrle(CtrPc) adsorbed on the dimer row and the trotrgh of the 81(001)2x1 strri'ace, respectively,Abotrt 3 electrons transf'er frouaa the 81 strbstr?tte to CuPc. For CtrPc on the dirner roxv, bothocctrpied and trnocctrpied orbitals of' the CuPc molecule have ch?trge density all over the CuPc,btrt the charge density over tl'xe isoindoles on the dirner roxv is higher than that over others.Lower (higher) part of individual occtrpied (trtaoccupied) orbitals ne?tr the Ferrni level has chargedensity around diagonal isoindoles parallel (perpendictrlar) to tlae dimer' row. These and thosefor CuPc on the trough shotrld be cotaap;rred with tlae scanning ttrnneling microscopy images.

• 社団法人日本物理学会の論文
• 1997-03-15

著者

• Yamaguchi Tomohiko

  Department Of Chemical Systems National Institute Of Materials And Chemical Research (nimc)

• Tsuyoshi Yamaguchi

  Faculty Of Engineering Shizuoka University

• Yamaguchi Tsuyoshi

  Faculty Of Engineering Shizuoka University

• Yamaguchi Toshihisa

  Department Of Applied Physics Chubu Institute Of Technology

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