Analysis of the structural and electronic properties of (fluoranthene)2PF6 and characterization of its (011) surface by scanning tunneling microscopy

K. S. Lee, Dong Kyun Seo, J. Ren, M. H. Whangbo, S. N. Magonov, G. Bar, W. Brütting

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The phase transitions of the conducting salts (FA)2X (FA = fluoranthene; X = PF6, AsF6) at 200 and 180 K were probed by analyzing the short intermolecular contacts of their crystal structures and calculating their electronic band structures. The scanning tunneling microscopy (STM) images of (FA)2PF6 were interpreted by calculating the partial electron density plots for its (011) surface. Our study indicates that the 200 K phase transition leads to a more compact crystal packing in which all F atoms of a PF6- anion make short F⋯H contacts with the surrounding FA molecules. The 180 K phase transition originates from the charge density wave (CDW) instability of each FA stack. It is most likely that the dimerization expected from the CDW instability involves rotations of FA dimers around the stacking axis, and that the occurrence of domain structures in each FA stack prevents the observation of a dimerized structure by single-crystal X-ray diffraction. The STM images of (FA)2PF6 indicate that a few FA molecules under the STM tip apex undergo a reversible, rotational rearrangement.

Original languageEnglish
Pages (from-to)1-6
Number of pages6
JournalSynthetic Metals
Volume80
Issue number1
DOIs
Publication statusPublished - Jun 15 1996

Fingerprint

Scanning tunneling microscopy
Electronic properties
Structural properties
scanning tunneling microscopy
Charge density waves
Phase transitions
electronics
Molecules
Dimerization
dimerization
Dimers
Band structure
Anions
Carrier concentration
molecules
apexes
Negative ions
Salts
Crystal structure
plots

Keywords

  • Electronic properties
  • Fluoranthene
  • Microscopy
  • Structural properties
  • Surfaces

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Chemistry
  • Polymers and Plastics

Cite this

Analysis of the structural and electronic properties of (fluoranthene)2PF6 and characterization of its (011) surface by scanning tunneling microscopy. / Lee, K. S.; Seo, Dong Kyun; Ren, J.; Whangbo, M. H.; Magonov, S. N.; Bar, G.; Brütting, W.

In: Synthetic Metals, Vol. 80, No. 1, 15.06.1996, p. 1-6.

Research output: Contribution to journalArticle

Lee, K. S. ; Seo, Dong Kyun ; Ren, J. ; Whangbo, M. H. ; Magonov, S. N. ; Bar, G. ; Brütting, W. / Analysis of the structural and electronic properties of (fluoranthene)2PF6 and characterization of its (011) surface by scanning tunneling microscopy. In: Synthetic Metals. 1996 ; Vol. 80, No. 1. pp. 1-6.
@article{f739bd9b767d4071aee90e365154433c,
title = "Analysis of the structural and electronic properties of (fluoranthene)2PF6 and characterization of its (011) surface by scanning tunneling microscopy",
abstract = "The phase transitions of the conducting salts (FA)2X (FA = fluoranthene; X = PF6, AsF6) at 200 and 180 K were probed by analyzing the short intermolecular contacts of their crystal structures and calculating their electronic band structures. The scanning tunneling microscopy (STM) images of (FA)2PF6 were interpreted by calculating the partial electron density plots for its (011) surface. Our study indicates that the 200 K phase transition leads to a more compact crystal packing in which all F atoms of a PF6- anion make short F⋯H contacts with the surrounding FA molecules. The 180 K phase transition originates from the charge density wave (CDW) instability of each FA stack. It is most likely that the dimerization expected from the CDW instability involves rotations of FA dimers around the stacking axis, and that the occurrence of domain structures in each FA stack prevents the observation of a dimerized structure by single-crystal X-ray diffraction. The STM images of (FA)2PF6 indicate that a few FA molecules under the STM tip apex undergo a reversible, rotational rearrangement.",
keywords = "Electronic properties, Fluoranthene, Microscopy, Structural properties, Surfaces",
author = "Lee, {K. S.} and Seo, {Dong Kyun} and J. Ren and Whangbo, {M. H.} and Magonov, {S. N.} and G. Bar and W. Br{\"u}tting",
year = "1996",
month = "6",
day = "15",
doi = "10.1016/0379-6779(96)03657-0",
language = "English",
volume = "80",
pages = "1--6",
journal = "Synthetic Metals",
issn = "0379-6779",
publisher = "Elsevier BV",
number = "1",

}

TY - JOUR

T1 - Analysis of the structural and electronic properties of (fluoranthene)2PF6 and characterization of its (011) surface by scanning tunneling microscopy

AU - Lee, K. S.

AU - Seo, Dong Kyun

AU - Ren, J.

AU - Whangbo, M. H.

AU - Magonov, S. N.

AU - Bar, G.

AU - Brütting, W.

PY - 1996/6/15

Y1 - 1996/6/15

N2 - The phase transitions of the conducting salts (FA)2X (FA = fluoranthene; X = PF6, AsF6) at 200 and 180 K were probed by analyzing the short intermolecular contacts of their crystal structures and calculating their electronic band structures. The scanning tunneling microscopy (STM) images of (FA)2PF6 were interpreted by calculating the partial electron density plots for its (011) surface. Our study indicates that the 200 K phase transition leads to a more compact crystal packing in which all F atoms of a PF6- anion make short F⋯H contacts with the surrounding FA molecules. The 180 K phase transition originates from the charge density wave (CDW) instability of each FA stack. It is most likely that the dimerization expected from the CDW instability involves rotations of FA dimers around the stacking axis, and that the occurrence of domain structures in each FA stack prevents the observation of a dimerized structure by single-crystal X-ray diffraction. The STM images of (FA)2PF6 indicate that a few FA molecules under the STM tip apex undergo a reversible, rotational rearrangement.

AB - The phase transitions of the conducting salts (FA)2X (FA = fluoranthene; X = PF6, AsF6) at 200 and 180 K were probed by analyzing the short intermolecular contacts of their crystal structures and calculating their electronic band structures. The scanning tunneling microscopy (STM) images of (FA)2PF6 were interpreted by calculating the partial electron density plots for its (011) surface. Our study indicates that the 200 K phase transition leads to a more compact crystal packing in which all F atoms of a PF6- anion make short F⋯H contacts with the surrounding FA molecules. The 180 K phase transition originates from the charge density wave (CDW) instability of each FA stack. It is most likely that the dimerization expected from the CDW instability involves rotations of FA dimers around the stacking axis, and that the occurrence of domain structures in each FA stack prevents the observation of a dimerized structure by single-crystal X-ray diffraction. The STM images of (FA)2PF6 indicate that a few FA molecules under the STM tip apex undergo a reversible, rotational rearrangement.

KW - Electronic properties

KW - Fluoranthene

KW - Microscopy

KW - Structural properties

KW - Surfaces

UR - http://www.scopus.com/inward/record.url?scp=0030164785&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0030164785&partnerID=8YFLogxK

U2 - 10.1016/0379-6779(96)03657-0

DO - 10.1016/0379-6779(96)03657-0

M3 - Article

AN - SCOPUS:0030164785

VL - 80

SP - 1

EP - 6

JO - Synthetic Metals

JF - Synthetic Metals

SN - 0379-6779

IS - 1

ER -