Non-Empirical Calculation of Electronic States of Impurity Polygon in Carbon Sheet:Pentagon
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概要
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Electronic states of the inuptrrity pentagon in carbon sheet are calculated by the DV-X(11-LCAOraaethod. The neighboring C atoun of the centrarl pentagon is negatively charged and other Catouns are almost neutr?tl. The electric field f'or a negative (positive) sarnple bias indtrces theelectron transfer frozta the tail-end (central pentagon) C atozaas of carbon sheet to the centralpentagon (tail-end) C ?ttonas. Both tire occupied orbitals near the I{CIVIC for the negative S2lLl11Pl6bias and the unoccupied orbitals for tlae positive saraaple bias have high charge density aroundtlae central pentargon. Tlais well reprodtrces the scanning tunneling microscopy images.
- 社団法人日本物理学会の論文
- 1999-12-15
著者
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YAMAGUCHI Tsuyoshi
Faculty of Engineering,Shizuoka University
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Yamaguchi Tsuyoshi
Faculty Of Engineering Shizuoka University
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