Electronic Structure of the Organic Conductorsκ-ET2Cu(SCN)2andκ-ET 2Cu[N(CN)2]Br Studied Using Soft X-ray Absorption and Soft X-ray Emission

Cristian B. Stagarescu, Laurent C. Duda, Kevin E. Smith, Dong Kyun Seo, M. H. Whangbo, Denis Jeromé, Robert C. Haddon, James S. Brooks, Jinghua Guo, Joseph Nordgren

Research output: Contribution to journalArticle

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Abstract

The problem of resolving molecular components of the electronic structure of complex, organic solids with respect to their chemical and orbital character has been approached using core-level photon spectroscopies. Specifically, the bulk C 2poccupied and unoccupied partial densities of states (PDOS) of the organic superconductorsκ-ET2Cu(SCN)2andκ-ET 2Cu[N(CN)2]Br were measured using a combination of high-resolution soft X-ray absorption (SXA) and soft X-ray emission (SXE). The PDOS was also calculated using a tight binding model, and the measured spectra compared directly to that predicted by the calculations. The emission and absorption spectra from both materials were found to be quite similar, reflecting mostly contributions from the common conductive ET layers. The presence of two nonequivalent carbon sites of the ET molecule was identified in the SXA spectra. Contributions from theπandσstates were identified in the emission spectra. The occupied C 2pbandwidth was found to be approximately 17eV. An observed dependence of the SXE spectra on the excitation energy is partly accounted for by a simple model that considers the presence of the two nonequivalent ET carbon sites. We also find evidence in the SXE spectra for a high degree of localization in the lowest unoccupied states.

Original languageEnglish
Pages (from-to)1-8
Number of pages8
JournalJournal of Solid State Chemistry
Volume143
Issue number1
DOIs
Publication statusPublished - Feb 15 1999

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Organic conductors
X ray absorption
Electronic structure
conductors
electronic structure
emission spectra
X rays
Absorption spectra
Carbon
x rays
Core levels
Excitation energy
Superconducting materials
absorption spectra
Photons
organic solids
organic superconductors
Spectroscopy
carbon
Molecules

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Electronic Structure of the Organic Conductorsκ-ET2Cu(SCN)2andκ-ET 2Cu[N(CN)2]Br Studied Using Soft X-ray Absorption and Soft X-ray Emission. / Stagarescu, Cristian B.; Duda, Laurent C.; Smith, Kevin E.; Seo, Dong Kyun; Whangbo, M. H.; Jeromé, Denis; Haddon, Robert C.; Brooks, James S.; Guo, Jinghua; Nordgren, Joseph.

In: Journal of Solid State Chemistry, Vol. 143, No. 1, 15.02.1999, p. 1-8.

Research output: Contribution to journalArticle

Stagarescu, Cristian B. ; Duda, Laurent C. ; Smith, Kevin E. ; Seo, Dong Kyun ; Whangbo, M. H. ; Jeromé, Denis ; Haddon, Robert C. ; Brooks, James S. ; Guo, Jinghua ; Nordgren, Joseph. / Electronic Structure of the Organic Conductorsκ-ET2Cu(SCN)2andκ-ET 2Cu[N(CN)2]Br Studied Using Soft X-ray Absorption and Soft X-ray Emission. In: Journal of Solid State Chemistry. 1999 ; Vol. 143, No. 1. pp. 1-8.
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AU - Jeromé, Denis

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