Journal of Solid State Chemistry ( IF 3.3 ) Pub Date : 2018-10-13 , DOI: 10.1016/j.jssc.2018.10.007 Umair Farid , Hidayat Ullah Khan , Maxim Avdeev , Thomas A. Whittle , Brendan J. Kennedy
Solid solutions of the type (LixAg1-x)NbO3 with x = 0.00, 0.01, 0.02, 0.03, 0.04, 0.05, 0.06, 0.07, 0.08, 0.09 and 0.10 have been synthesized by a mixed oxide route. The samples were characterized by synchrotron X-ray diffraction (S-XRD), neutron powder diffraction (NPD) and Raman spectroscopy. Rietveld refinements against both the S-XRD and NPD data shows that pure AgNbO3 crystalizes in orthorhombic, Pmc21 space group with a unit cell ap ap 4ap (where ap is the fundamental perovskite lattice parameter). The sample with x = 0.10 has rhombohedral symmetry with a unit cell. The composition induced orthorhombic to rhombohedral phase transition starts at x ~ 0.05 and is complete by x ~ 0.07. Both phases are present in the region 0.05 ≤ x ≤ 0.07. The Raman spectra were consistent with the S-XRD and NPD data thereby confirming the onset of the structural phase transition in the region 0.05 ≤ x ≤ 0.07. Temperature dependent S-XRD measurements of AgNbO3 revealed the phase transition sequence to be .
中文翻译:
Li x Ag 1-x NbO 3无铅压电材料的制备和高分辨率结构研究
所述类型的固体溶液(锂X的Ag 1-x )的NbO 3与X = 0.00,0.01,0.02,0.03,0.04,0.05,0.06,0.07,0.08,0.09和0.10是由混合氧化物合成路线合成。通过同步加速器X射线衍射(S-XRD),中子粉末衍射(NPD)和拉曼光谱对样品进行表征。针对S-XRD和NPD数据的Rietveld改进表明,纯AgNbO 3在具有晶胞的正交晶体Pmc2 1空间群中结晶一个p一个p4a p(其中p是钙钛矿的基本晶格参数)。x = 0.10的样品具有菱面体 与一个对称 晶胞。诱导正交于菱面体晶相转变,组合物开始于X〜0.05,是通过完全X〜0.07。两相都存在于区域0.05≤ X ≤0.07。拉曼光谱与所S-XRD和NPD数据从而确认在该区域0.05≤结构相变的开始一致的X ≤0.07。AgNbO 3的温度依赖性S-XRD测量表明相变序列为。