Exploring the excited states of vacancy defects in silica

J. Song*, L. R. Corrales, H. Jonsson

*Corresponding author for this work

Research output: Contribution to journalConference articlepeer-review

2 Citations (Scopus)

Abstract

A study of vacancy defect formation is carried out using a density functional theory molecular dynamics simulation methodology. The objective is to study the effects of electronic excitations in crystalline and non-crystalline silica polymorphs. We present an initial study focusing on the formation energetics of distinct oxygen vacancy defect states in α-quartz.

Original languageEnglish
Pages (from-to)379-382
Number of pages4
JournalMaterials Research Society Symposium - Proceedings
Volume540
Publication statusPublished - 1999
EventProceedings of the 1998 MRS Fall Meeting - The Symposium 'Advanced Catalytic Materials-1998' - Boston, MA, USA
Duration: 30 Nov 19983 Dec 1998

Fingerprint

Dive into the research topics of 'Exploring the excited states of vacancy defects in silica'. Together they form a unique fingerprint.

Cite this