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Title: Passivation effects of fluorine and hydrogen at the SiC–SiO 2 interface

Abstract

High concentrations of defects at the SiC–SiO 2 interface greatly reduce the efficiency of the SiC-based microelectronics. Investigations of the defect passivation are thus of great importance. Here, we report first-principles density-functional-theory calculations for the effects of fluorine and hydrogen in passivating the defects at the SiC–SiO 2 interface. The calculations show that the isolated point defects involving excessive carbon atoms can be passivated by atomic fluorine and hydrogen, separately or combined. The results further suggest that molecular fluorine may be more effective for the passivation of the interface defects than molecular hydrogen and hydrogen fluoride.

Authors:
 [1];  [1];  [1];  [2]
  1. Univ. of Tulsa, Tulsa, OK (United States)
  2. Univ. of Tulsa, Tulsa, OK (United States); Univ. of Oklahoma, Norman, OK (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Univ. of Oklahoma, Norman, OK (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1564762
Grant/Contract Number:  
SC0004600
Resource Type:
Accepted Manuscript
Journal Name:
Applied Physics Letters
Additional Journal Information:
Journal Volume: 97; Journal Issue: 24; Journal ID: ISSN 0003-6951
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Liu, Yingdi, Halfmoon, Michael R., Rittenhouse, Christine A., and Wang, Sanwu. Passivation effects of fluorine and hydrogen at the SiC–SiO2 interface. United States: N. p., 2010. Web. doi:10.1063/1.3527943.
Liu, Yingdi, Halfmoon, Michael R., Rittenhouse, Christine A., & Wang, Sanwu. Passivation effects of fluorine and hydrogen at the SiC–SiO2 interface. United States. doi:10.1063/1.3527943.
Liu, Yingdi, Halfmoon, Michael R., Rittenhouse, Christine A., and Wang, Sanwu. Fri . "Passivation effects of fluorine and hydrogen at the SiC–SiO2 interface". United States. doi:10.1063/1.3527943. https://www.osti.gov/servlets/purl/1564762.
@article{osti_1564762,
title = {Passivation effects of fluorine and hydrogen at the SiC–SiO2 interface},
author = {Liu, Yingdi and Halfmoon, Michael R. and Rittenhouse, Christine A. and Wang, Sanwu},
abstractNote = {High concentrations of defects at the SiC–SiO2 interface greatly reduce the efficiency of the SiC-based microelectronics. Investigations of the defect passivation are thus of great importance. Here, we report first-principles density-functional-theory calculations for the effects of fluorine and hydrogen in passivating the defects at the SiC–SiO2 interface. The calculations show that the isolated point defects involving excessive carbon atoms can be passivated by atomic fluorine and hydrogen, separately or combined. The results further suggest that molecular fluorine may be more effective for the passivation of the interface defects than molecular hydrogen and hydrogen fluoride.},
doi = {10.1063/1.3527943},
journal = {Applied Physics Letters},
number = 24,
volume = 97,
place = {United States},
year = {2010},
month = {12}
}

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