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"Ab initio" studies of hydrogen-enhanced oxygen diffusion in silicon

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dc.creator Capaz R. B.
dc.creator Assali L. V. C.
dc.creator Kimerling L. C.
dc.creator Cho K.
dc.creator Joannopoulos J. D.
dc.date 1999
dc.date.accessioned 2013-05-29T23:18:24Z
dc.date.available 2013-05-29T23:18:24Z
dc.date.issued 2013-05-30
dc.identifier http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97331999000400002
dc.identifier http://www.doaj.org/doaj?func=openurl&genre=article&issn=01039733&date=1999&volume=29&issue=4&spage=611
dc.identifier.uri http://koha.mediu.edu.my:8181/jspui/handle/123456789/2696
dc.description A novel microscopic mechanism for hydrogen-enhanced oxygen diffusion in p-doped silicon is proposed. A path for joint diffusion of O and H is obtained from an ab-initio molecular dynamics "kick" simulation. The migration pathway consists of a two-step mechanism, with a maximum energy of 1.46 eV. This path represents a 0.54 eV reduction in the static barrier when compared with the diffusion of isolated O in Si, in excellent agreement with experiments.
dc.publisher Sociedade Brasileira de Física
dc.source Brazilian Journal of Physics
dc.title "Ab initio" studies of hydrogen-enhanced oxygen diffusion in silicon


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