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Hydrogen passivation and activation of oxygen complexes in silicon

Appl. Phys. Lett. 78, 1571 (2001); doi:10.1063/1.1355297

Issue Date: 12 March 2001

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S. N. Rashkeev, M. Di Ventra, and S. T. Pantelides
Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235
We report first-principles calculations in terms of which we describe the role of hydrogen in passivating or activating oxygen complexes in Si. In particular we find that attaching H to a pre-existing oxygen cluster can change the electric activity of the cluster. Furthermore, the addition of a hydrogen atom in the core structure of thermal donors can account for the NL10 electron-paramagnetic-resonance signal. The interaction of H with the thermal-donor-like defects at the Si–SiO2 is also discussed. ©2001 American Institute of Physics.
History: Received 1 December 2000; accepted 19 January 2001
Permalink: http://link.aip.org/link/?APPLAB/78/1571/1
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KEYWORDS and PACS

Keywords
PACS
  • 71.55.Cn
    Electronic structure of bulk materials Impurity and defect levels Elemental semiconductors
  • 71.15.Mb
    Electronic structure of bulk materials Methods of electronic structure calculations Density functional theory, local density approximation, gradient and other corrections
  • 76.30.Mi
    Magnetic resonances and relaxations in condensed matter, Mössbauer effect Electron paramagnetic resonance and relaxation Color centers and other defects
  • 73.20.Hb
    Electronic structure and electrical properties of surfaces, interfaces, thin films, and low-dimensional structures Electron states at surfaces and interfaces Impurity and defect levels; energy states of adsorbed species
  • YEAR: 2001

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ISSN:
0003-6951 (print)   1077-3118 (online)
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