Microscopic structure of hydrogen impurity in LiNbO3

Cited 15 time in webofscience Cited 0 time in scopus
  • Hit : 171
  • Download : 0
We investigate the microscopic structures of interstitial and substitutional hydrogen impurities in LiNbO3 through the first-principles pseudopotential total-energy calculations. The interstitial hydrogen is located between two O atoms and bonds to one of the oxygen atoms. The hydrogen impurity substituting Li is significantly displaced from the Li-site and strongly bonds to an oxygen atom and is located on a biaxial axis of an O triangle. We discuss the effect of hydrogen to the ferroelectric polarization and the energetics for the trap of the interstitial hydrogen at a Li vacancy. (C) 2001 American Institute of Physics.
Publisher
AMER INST PHYSICS
Issue Date
2001-06
Language
English
Article Type
Article
Keywords

LITHIUM-NIOBATE; WAVE-GUIDES; NONLINEAR-INTERACTIONS; PROTON-EXCHANGE; PSEUDOPOTENTIALS; CRYSTALS; ABSORPTION; LITAO3; BAND

Citation

APPLIED PHYSICS LETTERS, v.78, no.24, pp.3812 - 3814

ISSN
0003-6951
DOI
10.1063/1.1376667
URI
http://hdl.handle.net/10203/228704
Appears in Collection
NT-Journal Papers(저널논문)
Files in This Item
There are no files associated with this item.
This item is cited by other documents in WoS
⊙ Detail Information in WoSⓡ Click to see webofscience_button
⊙ Cited 15 items in WoS Click to see citing articles in records_button

qr_code

  • mendeley

    citeulike


rss_1.0 rss_2.0 atom_1.0