Published February 2013 | Version v1
Journal article Metadata-only

Computer modelling of undoped and Eu3+-doped LiLa(WO4)2

Creators

  • 1. Departamento de Fisica, Universidade Federal de Sergipe, Sao Cristovao (Brazil)
  • 2. Instituto de Pesquisas Energeticas e Nucleares, IPEN - CNEN/SP, Sao Paulo (Brazil)
  • 3. Lennard-Jones Laboratories, School of Physical and Geographical Sciences, Keele University, Keele, Staffordshire (United Kingdom)

Description

In this work, computer modelling of the undoped and Eu3+-doped LiLa(WO4)2 structure was successfully achieved by energy minimization and mean field theory. The results were compared with experimental data previously published and are in good agreement with them. A linear regression of the lattice parameters was also proposed as a function of the dopant concentration. The lattice ordering was evaluated to understand the possibility of structural changes in the crystal. Regarding the optical luminescence, the concentration limit of Eu doping was also determined. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Availability note (English)

Available from: http://dx.doi.org/10.1002/pssc.201200510

Additional details

Identifiers

DOI
10.1002/pssc.201200510;

Publishing Information

Journal Title
Physica Status Solidi. C, Current Topics in Solid State Physics (Online)
Journal Volume
10
Journal Issue
2
Journal Page Range
p. 165-167
ISSN
1610-1642

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
44039524
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; CONCENTRATION RATIO; CRYSTAL GROWTH; ENTHALPY; EUROPIUM IONS; LANTHANUM TUNGSTATES; LATTICE PARAMETERS; LITHIUM TUNGSTATES; MEAN-FIELD THEORY; PHOTOLUMINESCENCE; REGRESSION ANALYSIS; X-RAY DIFFRACTION
Descriptors DEC
ALKALI METAL COMPOUNDS; CHARGED PARTICLES; COHERENT SCATTERING; DIFFRACTION; DIMENSIONLESS NUMBERS; EMISSION; EVALUATION; IONS; LANTHANUM COMPOUNDS; LITHIUM COMPOUNDS; LUMINESCENCE; MATHEMATICS; OXYGEN COMPOUNDS; PHOTON EMISSION; PHYSICAL PROPERTIES; RARE EARTH COMPOUNDS; REFRACTORY METAL COMPOUNDS; SCATTERING; SIMULATION; STATISTICS; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENT COMPOUNDS; TUNGSTATES; TUNGSTEN COMPOUNDS

Optional Information

Notes
1 fig., 5 tabs., 14 refs.