Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation
Abstract
In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 05, 2015
- Source ID
- 10.1063/1.4905442
Entities
People
- Adri. C. T. Van Duin
- Erik C. Neyts
- J. Provine
- Krishna Rajan
- Roger T. Howe
- Santoshrupa Dumpala
- Scott R. Broderick
- Umedjon Khalilov
Organizations
- Air Force Office of Scientific Research
- Iowa State University
- National Science Foundation
- Pennsylvania State University
- Stanford University
- University of Antwerp