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SUMMARY:First-principles Materials Applications and Design to Nonlinear Op
 tical Crystals - Prof. Zheshuai Lin\, Technical Institute of Physics and C
 hemistry\, Chinese Academy of Sciences
DTSTART:20140619T131500Z
DTEND:20140619T141500Z
UID:TALK52596@talks.cam.ac.uk
CONTACT:Gareth Conduit
DESCRIPTION:With the development of laser technology and related scientifi
 c fields an understanding of the structure-property relationship in nonlin
 ear optical (NLO) crystals has become more and more important. In this tal
 k\, first-principles studies based on density functional theory are review
 ed which aim to elucidate the microscopic origin of the linear and nonline
 ar optical properties of these crystals. These ab initio approaches have t
 he ability to accurately predict the optical properties of NLO crystals an
 d together with developed analysis tools are vital for investigating the i
 ntrinsic mechanisms. This microscopic understanding has further guided the
  molecular engineering design of NLO crystals with novel structures and pr
 operties. It is anticipated that first-principles materials approaches wil
 l greatly improve the search for new NLO crystals with good performance.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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