Exploration of structural, thermal, vibrational and spectroscopic properties of new noncentrosymmetric double borate Rb3NdB6O12

Atuchin, V. V.; Subanakov, A. K.; Aleksandrovsky, A. S.; Bazarov, S. G.; Bazarova, J. G.; Dorzhieva, S. G.; Gavrilova, T. A.; Krylov, A. S.; Molokeev, M. S.; Oreshonkov, A. S.; Pugachev, A. M.; Tushinova, Yu. L.; Yelisseyev, A. P. ADVANCED POWDER TECHNOLOGY, 28 (5):1309-1315; Doi: 10.1016/j.apt.2017.02.019 MAY 2017

New noncentrosymmetric rare earth borate Rb3NdB6O12 is found in the ternary system Rb2O–Nd2O3–B2O3. The Rb3NdB6O12 powder was fabricated by solid state synthesis at 1050 K for 72 h and the crystal structure was obtained by the Rietveld method. Rb3NdB6O12 crystallized in space group R32 with unit cell parameters a = 13.5236(4), c = 31.162(1) Å, Z = 3. From DSC measurements, the reversible phase transition (I type) in Rb3NdB6O12 is observed at 852–936 K. The 200 μm thick tablet is transparent over the spectral range of 0.3–6.5 μm and the band gap is found as Eg ∼ 6.29 eV. Nonlinear optical response of Rb3NdB6O12 tested via SHG is estimated to be higher than that of K3YB6O12. Blue shift of Nd luminescent lines is found in comparison with other borates. The vibrational parameters of Rb3NdB6O12 are evaluated by experimental methods.