skip to main content

SciTech ConnectSciTech Connect

Title: Structure, defects, and strain in silicon-silicon oxide interfaces

The structure of the interfaces between silicon and silicon-oxide is responsible for proper functioning of MOSFET devices while defects in the interface can deteriorate this function and lead to their failure. In this paper we modeled this interface and characterized its defects and strain. MD simulations were used for reconstructing interfaces into a thermodynamically stable configuration. In all modeled interfaces, defects were found in the form of three-coordinated silicon atom, five coordinated silicon atom, threefold-coordinated oxygen atom, or displaced oxygen atom. Three-coordinated oxygen atom can be created if dangling bonds on silicon are close enough. The structure and stability of three-coordinated silicon atoms (P{sub b} defect) depend on the charge as well as on the electric field across the interface. The negatively charged P{sub b} defect is the most stable one, but the electric field resulting from the interface reduces that stability. Interfaces with large differences in periodic constants of silicon and silicon oxide can be stabilized by buckling of silicon layer. The mechanical stress resulted from the interface between silicon and silicon oxide is greater in the silicon oxide layer. Ab initio modeling of clusters representing silicon and silicon oxide shows about three time larger susceptibility to strain inmore » silicon oxide than in silicon if exposed to the same deformation.« less
Authors:
;  [1]
  1. Department of Materials Physics, Rudjer Boskovic Institute, Bijenička 56, P.O.B. 180, HR-10002 Zagreb (Croatia)
Publication Date:
OSTI Identifier:
22275827
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 4; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COMPUTERIZED SIMULATION; CRYSTAL DEFECTS; DEFORMATION; ELECTRIC FIELDS; INTERFACES; LAYERS; MOSFET; OXYGEN; PHASE STABILITY; SILICON; SILICON OXIDES; STRAINS; STRESSES