화학공학소재연구정보센터
Chemical Physics Letters, Vol.660, 136-142, 2016
Growth and characterization of Ba3InB9O18 single crystals
Ba3InB9O18 is expected to be potential ultraviolet optical materials. In this work, a crack free and colorless transparent Ba3InB9O18 single crystal has been grown by the Czochralski technique. The as-grown Ba3InB9O18 crystals show good UV transparency with the cutoff wavelength locating at 195 nm. An indirect band gap of 5.25 eV was obtained from the calculated electronic structure results. The factor group analysis results show that the total lattice modes are 15A(u) + 14B(g) + 36E(1u) + 28E(2u) + 34E(2g) + 26E(1g) + 17B(u) + 16A(g), of which 17E(2g) + 13E(1g) + 16A(g) are Raman-active. The strongest recorded Raman peak at 642 cm(-1) was assigned with the assistance of the first-principle calculation and factor group analysis results. (C) 2016 Elsevier B.V. All rights reserved.