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Title: Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

Abstract

Using first principles calculations, we predict a complex multifunctional behavior in cobalt bis(dioxolene) valence tautomeric compounds. Molecular spin-state switching is shown to dramatically alter electronic properties and corresponding transport properties. This spin state dependence has been demonstrated for technologically relevant coordination polymers of valence tautomers as well as for novel conjugated polymers with valence tautomeric functionalization. As a result, these materials are proposed as promising candidates for spintronic devices that can couple magnetic bistability with novel electrical and spin conduction properties. Our findings pave the way to the fundamental understanding and future design of active multifunctional organic materials for spintronics applications.

Authors:
 [1];  [2];  [3];  [2];  [3];  [4]
  1. CNR-NANO, Istituto Nanoscienze, Centro S3 I-41125 Modena, Italy
  2. Department of Physics, North Carolina State University, Raleigh, North Carolina 27695, United States
  3. Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695, United States
  4. Department of Physics and Department of Chemistry, University of North Texas, Denton, Texas 76203, United States; CSMD, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); UT-Battelle LLC/ORNL, Oak Ridge, TN (Unted States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1564980
DOE Contract Number:  
AC05-00OR22725
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry
Additional Journal Information:
Journal Volume: 116; Journal Issue: 43; Journal ID: ISSN 1520-6106
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Calzolari, Arrigo, Chen, Yifeng, Lewis, Geoffrey F., Dougherty, Daniel B., Shultz, David, and Buongiorno Nardelli, Marco. Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers. United States: N. p., 2012. Web. doi:10.1021/jp3099895.
Calzolari, Arrigo, Chen, Yifeng, Lewis, Geoffrey F., Dougherty, Daniel B., Shultz, David, & Buongiorno Nardelli, Marco. Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers. United States. doi:10.1021/jp3099895.
Calzolari, Arrigo, Chen, Yifeng, Lewis, Geoffrey F., Dougherty, Daniel B., Shultz, David, and Buongiorno Nardelli, Marco. Mon . "Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers". United States. doi:10.1021/jp3099895.
@article{osti_1564980,
title = {Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers},
author = {Calzolari, Arrigo and Chen, Yifeng and Lewis, Geoffrey F. and Dougherty, Daniel B. and Shultz, David and Buongiorno Nardelli, Marco},
abstractNote = {Using first principles calculations, we predict a complex multifunctional behavior in cobalt bis(dioxolene) valence tautomeric compounds. Molecular spin-state switching is shown to dramatically alter electronic properties and corresponding transport properties. This spin state dependence has been demonstrated for technologically relevant coordination polymers of valence tautomers as well as for novel conjugated polymers with valence tautomeric functionalization. As a result, these materials are proposed as promising candidates for spintronic devices that can couple magnetic bistability with novel electrical and spin conduction properties. Our findings pave the way to the fundamental understanding and future design of active multifunctional organic materials for spintronics applications.},
doi = {10.1021/jp3099895},
journal = {Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry},
issn = {1520-6106},
number = 43,
volume = 116,
place = {United States},
year = {2012},
month = {10}
}