Apparent Reversal of Molecular Orbitals Reveals Entanglement

Yu, Ping and Kocic, Nemanja and Repp, Jascha and Siegert, Benjamin and Donarini, Andrea (2017) Apparent Reversal of Molecular Orbitals Reveals Entanglement. PHYSICAL REVIEW LETTERS, 119 (5): 056801. ISSN 0031-9007, 1079-7114

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Abstract

The frontier orbital sequence of individual dicyanovinyl-substituted oligothiophene molecules is studied by means of scanning tunneling microscopy. On NaCl/Cud(111), the molecules are neutral, and the two lowest unoccupied molecular states are observed in the expected order of increasing energy. On NaCl/Cud(311), where the molecules are negatively charged, the sequence of two observed molecular orbitals is reversed, such that the one with one more nodal plane appears lower in energy. These experimental results, in open contradiction with a single-particle interpretation, are explained by a manybody theory predicting a strongly entangled doubly charged ground state.

Item Type: Article
Uncontrolled Keywords: ATOMIC-FORCE MICROSCOPY; PI-CONJUGATED MOLECULES; SINGLE-MOLECULE; ELECTRONIC-STRUCTURE; WORK FUNCTION; CHARGE-STATE; OLIGOTHIOPHENE; INTERFERENCE; CONDUCTANCE; WIRES;
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Milena Grifoni
Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group John Schliemann
Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group Ferdinand Evers
Physics > Institute of Theroretical Physics > Chair Professor Grifoni > Group David Egger
Physics > Institute of Experimental and Applied Physics > Chair Professor Giessibl > Group Jascha Repp
Depositing User: Dr. Gernot Deinzer
Date Deposited: 14 Dec 2018 13:16
Last Modified: 28 Feb 2019 09:27
URI: https://pred.uni-regensburg.de/id/eprint/1467

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