Molecular dynamics simulation of an erbium-activated titania-silica glass: composition influence on the structural properties

被引：14

作者：

Bernard, C

Chaussedent, S

Monteil, A

Ferrari, M

机构：

[1] Univ Angers, CNRS, UMR 6136, Lab POMA, F-49045 Angers, France

[2] CNR, Ctr Fis Stati Aggregati, I-38050 Trent, Italy

来源：

PHILOSOPHICAL MAGAZINE B-PHYSICS OF CONDENSED MATTER STATISTICAL MECHANICS ELECTRONIC OPTICAL AND MAGNETIC PROPERTIES | 2002年 / 82卷 / 06期

关键词：

D O I：

10.1080/13642810110083921

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have performed molecular dynamics simulations of a TiO2-SiO2 : Er3- system for various compositions. Different distribution functions have been analysed to determine whether titanium ions are homogeneously distributed. A similar analysis has been carried out to characterize the erbium clustering ability. In particular, because of the simulation technique, the microscopic structure around erbium ions has been investigated. We discuss the role of both erbium and titanium concentrations in the structural properties of the simulated samples. For this purpose. the titanium distribution has been studied for [Ti]/[Si+Ti] concentrations ranging from 7.8 to 50% in undoped samples. and the erbium clustering trend has been characterized from three doped samples in which both erbium and titanium concentrations vary. A calculation of the crystal-field strength for the different kinds of erbium site has been interpreted in the light of the associated local structures.

引用

收藏

页码：681 / 693

页数：13

相关论文

共 18 条

[1] Application of molecular dynamics techniques and luminescent probes to the study of glass structure:: the SiO2-GeO2 case [J].

Bernard, C ;

Chaussedent, S ;

Monteil, A ;

Balu, N ;

Obriot, J ;

Duverger, C ;

Ferrari, M ;

Bouazaoui, M ;

Kinowski, C ;

Turrell, S .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 2001, 284 (1-3) :68-72

[2] MOLECULAR-DYNAMICS SIMULATIONS OF THE STRUCTURE OF RARE-EARTH-DOPED BERYLLIUM FLUORIDE GLASSES [J].

BRAWER, SA ;

WEBER, MJ .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (07) :3522-3541

[3] Structural properties of erbium-activated silica-titania glasses: modeling by Molecular Dynamics method [J].

Chaussedent, S ;

Bernard, C ;

Monteil, A ;

Balu, N ;

Obriot, J ;

Ronchin, S ;

Tosello, C ;

Ferrari, M .

RARE-EARTH-DOPED MATERIALS AND DEVICES IV, 2000, 3942 :243-252

[4] MOLECULAR-DYNAMICS SIMULATION OF THE TRIVALENT EUROPIUM ION DOPED IN SILICA AND SODIUM DISILICATE GLASSES [J].

CORMIER, G ;

CAPOBIANCO, JA ;

MONTEIL, A .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1993, 152 (2-3) :225-236

[5] Molecular dynamics simulation of the structure of undoped and Yb3+-doped lead silicate glass [J].

Cormier, G ;

Peres, T ;

Capobianco, JA .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1996, 195 (1-2) :125-137

[6] MOLECULAR-DYNAMICS SIMULATION OF THE TRIVALENT EUROPIUM ION DOPED IN SODIUM DISILICATE GLASS - ELECTRONIC ABSORPTION AND EMISSION-SPECTRA [J].

CORMIER, G ;

CAPOBIANCO, JA ;

MORRISON, CA ;

MONTEIL, A .

PHYSICAL REVIEW B, 1993, 48 (22) :16290-16303

[7] Erbium-activated silica xerogels: spectroscopic and optical properties [J].

Duverger, C ;

Montagna, M ;

Rolli, R ;

Ronchin, S ;

Zampedri, L ;

Fossi, M ;

Pelli, S ;

Righini, GC ;

Monteil, A ;

Armellini, C ;

Ferrari, M .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 2001, 280 (1-3) :261-268

[8] EMPIRICAL 3-BODY POTENTIAL FOR VITREOUS SILICA [J].

FEUSTON, BP ;

GAROFALINI, SH .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (09) :5818-5824

[9] MICROSTRUCTURAL EVALUATION OF SIMULATED SODIUM-SILICATE GLASSES [J].

MELMAN, H ;

GAROFALINI, SH .

JOURNAL OF NON-CRYSTALLINE SOLIDS, 1991, 134 (1-2) :107-115

[10] Sol-gel silica/titania-on-silicon Er/Yb-doped waveguides for optical amplification at 1.5 μm [J].

Orignac, X ;

Barbier, D ;

Du, XM ;

Almeida, RM ;

McCarthy, O ;

Yeatman, E .

OPTICAL MATERIALS, 1999, 12 (01) :1-18