Na_2TiO_3晶型及其相变的高温原位拉曼光谱与X射线衍射联合研究  

In-situ Studies on Na_2TiO_3 and Its Phase Transformation by High Temperature Raman Spectroscopy and High Temperature XRD Method

作　　者：徐磊 尤静林[1] 王建[1] 王敏[1] 周灿栋[2] XU Lei1,YOU Jinglin1,WANG Jian1,WANG Min1,ZHOU Candong2(1.State Key Laboratory of Advanced Special Steel ＆ Shanghai Key Laboratory of Advanced Ferrometallurgy ＆ School of Materials Science and Engineering,Shanghai University,Shanghai 200072,China;2.Baoshan Iron and Steel Co.,Ltd.,Shanghai 201900,Chin)

机构地区：[1]省部共建高品质特殊钢冶金与制备国家重点实验室上海市钢铁冶金新技术开发应用重点实验室和上海大学材料科学与工程学院,上海200072 [2]宝山钢铁股份有限公司,上海201900

出　　处：《光散射学报》2018年第2期126-132,共7页The Journal of Light Scattering

基　　金：国家自然科学基金重点项目(50932005);国家自然科学基金(20973107;40973046);上海市科学技术委员会科技基金(12520709200);省部共建高品质特殊钢冶金与制备国家重点实验室开放课题(SKLASS2015-01)基金资助

摘　　要：本文设计了α、β和γ三种晶型的Na_2TiO_3晶体的制备方法,采用固相烧结技术成功制备了该晶体的上述三种晶型,并对其常温拉曼光谱进行了比较研究。对其中已知晶型结构的γ-Na_2TiO_3的拉曼光谱进行密度泛函理论的模拟计算,基于计算对其拉曼光谱高频区主要振动模式进行归属。运用高温原位拉曼光谱技术和X射线衍射技术对无序型亚稳态α-Na_2TiO_3晶体升温过程的相变及其结构变化进行了原位追踪与研究,为不同晶型的Na_2TiO_3晶体的温致结构演变及晶型的鉴定提供重要的实验依据。In this paper,the synthesis conditions ofα,βandγphases of Na2TiO3 crystal were designed.Three crystal of different phases of Na2TiO3 were prepared successfully by solidstate reactions.Room temperature Raman spectra and X-ray diffraction（XRD）patterns of these crystalline samples were then recorded.The assignment of the major Raman-active vibrational modes ofγ-Na2TiO3 in high-frequency region was made on the basis of density functional theory（DFT）calculation.In-situ high temperature both Raman spectroscopy and XRD method have been adopted to investigate temperature dependent phase transition and micro-structural evolution of the disordered metastable crystallineα-Na2TiO3.This work can offer experimental basis for the structural evolution and crystal phase identification of various crystals of Na2TiO3.

关 键 词：Na2TiO3晶体 晶型转变 高温原位拉曼光谱 高温原位X射线衍射 

分 类 号：O792[理学—晶体学]