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Title: Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces

Abstract

It is shown that charge transfer, the process analogous to formation of semiconductor p-n junction, contributes significantly to adsorption energy at semiconductor surfaces. For the processes without the charge transfer, such as molecular adsorption of closed shell systems, the adsorption energy is determined by the bonding only. In the case involving charge transfer, such as open shell systems like metal atoms or the dissociating molecules, the energy attains different value for the Fermi level differently pinned. The Density Functional Theory (DFT) simulation of species adsorption at different surfaces, such as SiC(0001) or GaN(0001) confirms these predictions: the molecular adsorption is independent on the coverage, while the dissociative process adsorption energy varies by several electronvolts.

Authors:
 [1]; ; ;  [1]
  1. Institute of High Pressure Physics, Polish Academy of Sciences, Sokołowska 29/37, 01-142 Warsaw (Poland)
Publication Date:
OSTI Identifier:
22275591
Resource Type:
Journal Article
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Volume: 115; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-8979
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ADSORPTION; COMPUTERIZED SIMULATION; DENSITY FUNCTIONAL METHOD; FERMI LEVEL; GALLIUM NITRIDES; P-N JUNCTIONS; SEMICONDUCTOR MATERIALS; SILICON CARBIDES; SURFACES

Citation Formats

Krukowski, Stanisław, Interdisciplinary Centre for Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw, Kempisty, Paweł, Strak, Paweł, and Sakowski, Konrad. Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces. United States: N. p., 2014. Web. doi:10.1063/1.4863338.
Krukowski, Stanisław, Interdisciplinary Centre for Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw, Kempisty, Paweł, Strak, Paweł, & Sakowski, Konrad. Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces. United States. https://doi.org/10.1063/1.4863338
Krukowski, Stanisław, Interdisciplinary Centre for Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw, Kempisty, Paweł, Strak, Paweł, and Sakowski, Konrad. 2014. "Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces". United States. https://doi.org/10.1063/1.4863338.
@article{osti_22275591,
title = {Fermi level pinning and the charge transfer contribution to the energy of adsorption at semiconducting surfaces},
author = {Krukowski, Stanisław and Interdisciplinary Centre for Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw and Kempisty, Paweł and Strak, Paweł and Sakowski, Konrad},
abstractNote = {It is shown that charge transfer, the process analogous to formation of semiconductor p-n junction, contributes significantly to adsorption energy at semiconductor surfaces. For the processes without the charge transfer, such as molecular adsorption of closed shell systems, the adsorption energy is determined by the bonding only. In the case involving charge transfer, such as open shell systems like metal atoms or the dissociating molecules, the energy attains different value for the Fermi level differently pinned. The Density Functional Theory (DFT) simulation of species adsorption at different surfaces, such as SiC(0001) or GaN(0001) confirms these predictions: the molecular adsorption is independent on the coverage, while the dissociative process adsorption energy varies by several electronvolts.},
doi = {10.1063/1.4863338},
url = {https://www.osti.gov/biblio/22275591}, journal = {Journal of Applied Physics},
issn = {0021-8979},
number = 4,
volume = 115,
place = {United States},
year = {Tue Jan 28 00:00:00 EST 2014},
month = {Tue Jan 28 00:00:00 EST 2014}
}