Transfer of a Positive Fixed Charge between Si and SiO2 in a Si/SiO2 Interface with Hydrogen Migration

Autor:	Takuya Maruizumi, Jiro Ushio
Rok vydání:	2007
Předmět:	Materials science Hydrogen chemistry Interface (Java) Fixed charge Chemical physics Transfer (computing) Physics::Atomic and Molecular Clusters chemistry.chemical_element Physics::Atomic Physics Atomic physics
Zdroj:	ECS Transactions. 6:27-41
ISSN:	1938-6737 1938-5862
Popis:	The transfer reaction of the positive fixed charge at the Si/SiO2 interface accompanied by hydrogen migration, which is a basic phenomenon to consider negative-bias temperature instability, was investigated using the ab initio molecular orbital method. Comparing the activation energies, we determined the most likely reaction path. We found that the reaction path can be stabilized more by migration of an electrically neutral H atom from a Si substrate to a positively charged O atom than by migration of a proton from a Si substrate to an electrically neutral O atom. The calculated atomic charges and atomic spin densities also supported our conclusion.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::263245d323b4cb31e467cffb53e525c5 https://doi.org/10.1149/1.2728787 Zobrazit plný text záznamu