Electronic structure of thin film iron-tetracyanoethylene: Fe(TCNE)x

Pramod Bhatt, E. Carlegrim, A. Kanciurzewska, Machiel Pieter de Jong, M. Fahlman

Research output: Contribution to journalArticleAcademicpeer-review

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Abstract

Thin film iron-tetracyanoethylene Fe(TCNE)x, x ~ 2, as determined by photoelectron spectroscopy, was grown in situ under ultra-high vacuum conditions using a recently developed physical vapor deposition-based technique for fabrication of oxygen- and precursor-free organicbased molecular magnets. Photoelectron spectroscopy results show no spurious trace elements in the films, and the iron is of Fe²+ valency. The highest occupied molecular orbital of Fe(TCNE)x is located at ~1.7 eV vs. Fermi level and is derived mainly from the TCNE− singly occupied molecular orbital according to photoelectron spectroscopy and resonant photoelectron spectroscopy results. The Fe(3d)- derived states appear at higher binding energy, ~4.5 eV, which is in contrast to V(TCNE)2 where the highest occupied molecular orbital is mainly derived from V(3d) states. Fitting ligand field multiplet and charge transfer multiplet calculations to the Fe L-edge near edge X-ray absorption fine structure spectrum yields a high-spin Fe²+ (3d6) configuration with a crystal field parameter 10Dq ~ 0.6 eV for the Fe(TCNE)x system. We propose that the significantly weaker Fe-TCNE ligand interaction as compared to the room temperature magnet V(TCNE)2 (10Dq ~ 2.3 eV) is a strongly contributing factor to the substantially lower magnetic ordering temperature (TC) seen for Fe(TCNE)x - type magnets.
Original languageUndefined
Article number10.1007/s00339-008-5032-y
Pages (from-to)131-138
Number of pages8
JournalApplied physics A: Materials science and processing
Volume95
Issue number131
DOIs
Publication statusPublished - 19 Dec 2008

Keywords

  • METIS-264141
  • IR-69010
  • EWI-16488
  • SMI-NE: From 2006 in EWI-NE

Cite this

Bhatt, P., Carlegrim, E., Kanciurzewska, A., de Jong, M. P., & Fahlman, M. (2008). Electronic structure of thin film iron-tetracyanoethylene: Fe(TCNE)x. Applied physics A: Materials science and processing, 95(131), 131-138. [10.1007/s00339-008-5032-y]. https://doi.org/10.1007/s00339-008-5032-y
Bhatt, Pramod ; Carlegrim, E. ; Kanciurzewska, A. ; de Jong, Machiel Pieter ; Fahlman, M. / Electronic structure of thin film iron-tetracyanoethylene: Fe(TCNE)x. In: Applied physics A: Materials science and processing. 2008 ; Vol. 95, No. 131. pp. 131-138.
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keywords = "METIS-264141, IR-69010, EWI-16488, SMI-NE: From 2006 in EWI-NE",
author = "Pramod Bhatt and E. Carlegrim and A. Kanciurzewska and {de Jong}, {Machiel Pieter} and M. Fahlman",
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Bhatt, P, Carlegrim, E, Kanciurzewska, A, de Jong, MP & Fahlman, M 2008, 'Electronic structure of thin film iron-tetracyanoethylene: Fe(TCNE)x' Applied physics A: Materials science and processing, vol. 95, no. 131, 10.1007/s00339-008-5032-y, pp. 131-138. https://doi.org/10.1007/s00339-008-5032-y

Electronic structure of thin film iron-tetracyanoethylene: Fe(TCNE)x. / Bhatt, Pramod; Carlegrim, E.; Kanciurzewska, A.; de Jong, Machiel Pieter; Fahlman, M.

In: Applied physics A: Materials science and processing, Vol. 95, No. 131, 10.1007/s00339-008-5032-y, 19.12.2008, p. 131-138.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Electronic structure of thin film iron-tetracyanoethylene: Fe(TCNE)x

AU - Bhatt, Pramod

AU - Carlegrim, E.

AU - Kanciurzewska, A.

AU - de Jong, Machiel Pieter

AU - Fahlman, M.

N1 - 10.1007/s00339-008-5032-y

PY - 2008/12/19

Y1 - 2008/12/19

N2 - Thin film iron-tetracyanoethylene Fe(TCNE)x, x ~ 2, as determined by photoelectron spectroscopy, was grown in situ under ultra-high vacuum conditions using a recently developed physical vapor deposition-based technique for fabrication of oxygen- and precursor-free organicbased molecular magnets. Photoelectron spectroscopy results show no spurious trace elements in the films, and the iron is of Fe²+ valency. The highest occupied molecular orbital of Fe(TCNE)x is located at ~1.7 eV vs. Fermi level and is derived mainly from the TCNE− singly occupied molecular orbital according to photoelectron spectroscopy and resonant photoelectron spectroscopy results. The Fe(3d)- derived states appear at higher binding energy, ~4.5 eV, which is in contrast to V(TCNE)2 where the highest occupied molecular orbital is mainly derived from V(3d) states. Fitting ligand field multiplet and charge transfer multiplet calculations to the Fe L-edge near edge X-ray absorption fine structure spectrum yields a high-spin Fe²+ (3d6) configuration with a crystal field parameter 10Dq ~ 0.6 eV for the Fe(TCNE)x system. We propose that the significantly weaker Fe-TCNE ligand interaction as compared to the room temperature magnet V(TCNE)2 (10Dq ~ 2.3 eV) is a strongly contributing factor to the substantially lower magnetic ordering temperature (TC) seen for Fe(TCNE)x - type magnets.

AB - Thin film iron-tetracyanoethylene Fe(TCNE)x, x ~ 2, as determined by photoelectron spectroscopy, was grown in situ under ultra-high vacuum conditions using a recently developed physical vapor deposition-based technique for fabrication of oxygen- and precursor-free organicbased molecular magnets. Photoelectron spectroscopy results show no spurious trace elements in the films, and the iron is of Fe²+ valency. The highest occupied molecular orbital of Fe(TCNE)x is located at ~1.7 eV vs. Fermi level and is derived mainly from the TCNE− singly occupied molecular orbital according to photoelectron spectroscopy and resonant photoelectron spectroscopy results. The Fe(3d)- derived states appear at higher binding energy, ~4.5 eV, which is in contrast to V(TCNE)2 where the highest occupied molecular orbital is mainly derived from V(3d) states. Fitting ligand field multiplet and charge transfer multiplet calculations to the Fe L-edge near edge X-ray absorption fine structure spectrum yields a high-spin Fe²+ (3d6) configuration with a crystal field parameter 10Dq ~ 0.6 eV for the Fe(TCNE)x system. We propose that the significantly weaker Fe-TCNE ligand interaction as compared to the room temperature magnet V(TCNE)2 (10Dq ~ 2.3 eV) is a strongly contributing factor to the substantially lower magnetic ordering temperature (TC) seen for Fe(TCNE)x - type magnets.

KW - METIS-264141

KW - IR-69010

KW - EWI-16488

KW - SMI-NE: From 2006 in EWI-NE

U2 - 10.1007/s00339-008-5032-y

DO - 10.1007/s00339-008-5032-y

M3 - Article

VL - 95

SP - 131

EP - 138

JO - Applied physics A: Materials science and processing

JF - Applied physics A: Materials science and processing

SN - 0947-8396

IS - 131

M1 - 10.1007/s00339-008-5032-y

ER -