Self-trapped excitons in quartz

Citation
Jy. Song et al., Self-trapped excitons in quartz, NUCL INST B, 166, 2000, pp. 451-458
Citations number
31
Language
INGLESE
art.tipo
Article
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences","Instrumentation & Measurement
Journal title
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
ISSN journal
0168-583X → ACNP
Volume
166
Year of publication
2000
Pages
451 - 458
Database
ISI
SICI code
0168-583X(200005)166:<451:SEIQ>2.0.ZU;2-V
Abstract
Triplet-state electronic excitations in quartz were studied using density f unctional theory (DFT). By using periodic boundary conditions, the lattice response and electronic structure relaxations can be determined in the bulk . Several self-trapped exciton (STE) states have been discovered, in additi on to the oxygen-distorted state, which was originally predicted 10 years a go. One of these stales is a silicon-distorted state that lies energeticall y close to the oxygen-distorted state. The results reveal that these two ma jor STE states are likely responsible for two distinct luminescence bands. The luminescence energies for STE states of impurities and intrinsic defect s were also determined. (C) 2000 Elsevier Science B.V. All rights reserved.