Shilie Pan

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Introduction of the Cl(-) anion in the borate systems generates a new perovskite-like phase, K(3)B(6)O(10)Cl, which exhibits a large second harmonic response, about four times that of KH(2)PO(4) (KDP), and is transparent from the deep UV (180 nm) to middle-IR region. K(3)B(6)O(10)Cl crystallizes in the noncentrosymmetric and rhombohedral space group R3m.(More)
Low-temperature barium metaborate-BaB 2 O 4 has been grown using a LiBa 2 B 5 O 10-based solvent in a four-mirror optical floating zone furnace with a traveling solvent zone configuration. The-BaB 2 O 4 rods grown are composed of several different crystal domains, ranging from 100 µm to 1 mm in diameter, and lithium, a component of the flux, was present(More)
Searching for high performance materials for optical communication and laser industry in deep-ultraviolet (DUV) region has been the subject of considerable interest. Such materials by design from scratching on multi-component complex crystal systems are challenging. Here, we predict, through density function calculations and unbiased structure searching(More)
Pb2Cu3B4O11 crystallizes in the monoclinic space group P2/n (No. 13) with a = 6.8016(15) A, b = 4.7123(10) A, c = 14.614(3) A, beta = 97.089(3) degrees, and Z = 2. The crystal structure consists of infinite [Cu3O8]10- zigzag chains of alternating dimers and monomers. The magnetic susceptibility and specific heat capacity show spin-gap and Curie-Weiss(More)
Single crystals of Li(6)CuB(4)O(10) have been synthesized, and its crystal structure has been determined. Li(6)CuB(4)O(10) crystallizes in the non-centrosymmetric triclinic space group P1 (No. 1). The structure consists of isolated [CuB(4)O(10)](6)(-) polyanions that are bridged by six LiO(4) tetrahedra. Li(6)CuB(4)O(10) is a congruently melting compound.(More)
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