Journal
SURFACE SCIENCE
Volume 606, Issue 19-20, Pages 1550-1555Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2012.06.002
Keywords
Modelling; Rare-earth doping; YLF; YLiF4; Morphology
Categories
Funding
- AWE
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The aim of this research on the laser material yttrium lithium fluoride (YLiF4) is to provide the first study of its surface structure, morphology and the properties of rare-earth doped surfaces. The study utilises the METADISE computer code to model the surfaces using interatomic potentials. Equilibrium and growth morphologies are predicted and a detailed profile of segregation of rare-earth dopants to the three dominating surfaces is given. The (001), (011) and (112) surfaces dominate the morphology. Rare-earth dopants La to Sm show segregation to these surfaces, with the (112) surface being of particular interest. As this work demonstrates, it is likely to have dopants clustered towards it. (C) 2012 Elsevier B.V. All rights reserved.
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