Stability and Thermoelectric Properties of Transition Metal Silicides from First Principles Calculations

  1. Neale R. Neelameggham,
  2. Cynthia K. Belt,
  3. Mark Jolly,
  4. Ramana G. Reddy and
  5. James A. Yurko
  1. P. Jund,
  2. X. Tao,
  3. R. Viennois,
  4. C. Colinet and
  5. J.-C. Tedenac

Published Online: 19 APR 2011

DOI: 10.1002/9781118061886.ch10

Energy Technology 2011: Carbon Dioxide and Other Greenhouse Gas Reduction Metallurgy and Waste Heat Recovery

Energy Technology 2011: Carbon Dioxide and Other Greenhouse Gas Reduction Metallurgy and Waste Heat Recovery

How to Cite

Jund, P., Tao, X., Viennois, R., Colinet, C. and Tedenac, J.-C. (2011) Stability and Thermoelectric Properties of Transition Metal Silicides from First Principles Calculations, in Energy Technology 2011: Carbon Dioxide and Other Greenhouse Gas Reduction Metallurgy and Waste Heat Recovery (eds N. R. Neelameggham, C. K. Belt, M. Jolly, R. G. Reddy and J. A. Yurko), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9781118061886.ch10

Author Information

Publication History

  1. Published Online: 19 APR 2011
  2. Published Print: 28 FEB 2011

ISBN Information

Print ISBN: 9781118036518

Online ISBN: 9781118061886

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Keywords:

  • metal silicides;
  • higher manganese silicide;
  • projector augmented-wave;
  • generalized gradient approximation;
  • Vienna ab initio simulation package

Summary

This chapter contains sections titled:

  • Introduction

  • Computational details

  • Results

  • Conclusion