Journal
JOURNAL OF MATERIALS SCIENCE
Volume 48, Issue 6, Pages 2590-2596Publisher
SPRINGER
DOI: 10.1007/s10853-012-7051-5
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Funding
- National Key Basic Research Program of China [2012CB626803]
- National Natural Science Foundation of China [U1129301, 51172277, 51202210, 21101168, 11104344]
- Main Direction Program of Knowledge Innovation of Chinese Academy of Sciences [KJCX2-EW-H03-03]
- One Hundred Talents Project Foundation Program of Chinese Academy of Sciences
- Major Program of Xinjiang Uygur Autonomous Region of China [201130111]
- High Technology Research and Development Program of Xinjiang Uygur Autonomous Region of China [201116143]
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Single crystal of Pb2B5O9Cl with sizes up to 25 x 6 x 2 mm(3) has been obtained successfully using PbCl2-H3BO3 flux system by the high temperature solution method for the first time. It crystallizes in noncentrosymmetric orthorhombic space group Pnn2 (No. 34). It produces second harmonic generation (SHG) intensity about 4 times that of KH2PO4 (KDP) and is phase matchable. The origin and magnitude of the strong SHG effect was discussed. Band structures, density of states, and dipole moment calculations were calculated.
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