Structure and physical properties of the polar oxysulfide CaZnOS
Structure and physical properties of the polar oxysulfide CaZnOS
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DOI：
10.1021/ic062120z
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发表时间：
2007-04-02
影响因子：
4.6
通讯作者：
Halasyamani, P. Shiv
中科院分区：
文献类型：
--
作者：
Sambrook, Timothy;Smura, Catherine F.;Halasyamani, P. Shiv
报道了含氧硫化物CaZnOS的合成、结构和电学性质。白色化合物的禁带宽度为3.7(1)eV，属六方空间群P6(3)MC(第186号)，a=3.75726(3)埃，c=11.4013(1)埃，Z=2。非中心对称结构由同型的褶皱状六方硫化锌和氧化钙组成，使硫化锌四面体平行排列，形成极性结构。该化合物表现出1类非相位匹配的二次谐波产生，用1064 nm辐射测定，效率约为α-SiO_2的100倍，压电系数为38 pm V-1。CaZnOS虽然是极性的，但不是铁电的，热释电系数很小，在室温到100℃之间约为0.0µCm(-2)K-1。
The synthesis, structure, and electrical properties of the oxysulfide CaZnOS are reported. The white compound has a band gap of 3.7(1) eV and crystallizes in hexagonal space group P6(3)mc (No. 186) with a = 3.75726(3) angstrom, c = 11.4013(1) angstrom, and Z = 2. The noncentrosymmetric structure, which has few analogues, is composed of isotypic puckered hexagonal ZnS and CaO layers arranged so that ZnS3O tetrahedra are all aligned parallel, resulting in a polar structure. The compound shows type 1 non-phase-matchable second harmonic generation, determined using 1064 nm radiation, with an efficiency approximately 100 times that of alpha-SiO2 and a piezoelectric coefficient of 38 pm V-1. Although polar, CaZnOS is not ferroelectric and the pyroelectric coefficient is very small, approximately 0.0 mu C m(-2) K-1 between room temperature and 100 degrees C.