Modelling of the Energy Band Diagram for Tin Monoselenide Oxidized Surface

Authors

  • V. Yu. Klevets Uzhgorod National University
  • N. D. Savchenko Uzhgorod National University
  • T. N. Shchurova Uzhgorod National University
  • A. G. Slivka Uzhgorod National University
  • K. O. Popovic NanoTecCenter Weiz Forschungsgesellschaft mbH

Abstract

On the basis of the approach that combines the method of linear combination of atomic orbitals and pseudopotential method, energy band diagram for tin monoselenide with tin monooxide surface layer has been simulated. The band gap, electron affinity and the energy of the valence-band maximum have been determined with account of intra-atomic Coulomb repulsion as well as the influence of the polarity of chemical bond on the metallic bond energy. The energy positions of the surface states for tin atoms have been calculated. Energy band diagram of SnSe–SnO heterostructure under equilibrium conditions allowing for the surface states at the interface is given.

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How to Cite

(1)
Klevets, V. Y.; Savchenko, N. D.; Shchurova, T. N.; Slivka, A. G.; Popovic, K. O. Modelling of the Energy Band Diagram for Tin Monoselenide Oxidized Surface. Him. Fiz. Tehnol. Poverhni 2012, 3, 341-345.

Issue

Vol. 3 No. 3 (2012): Chemistry, Physics and Technology of Surface / Himia, Fizika ta Tehnologia Poverhni

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Articles

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