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B-site cation order/disorder and their valence states in Ba3MnNb2O9 perovskite oxide
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2018-03-06 , DOI: 10.1016/j.jssc.2018.02.013
Yan Xin , Qing Huang , Zahra Shafieizadeh , Haidong Zhou

Polycrystalline samples Ba3MnNb2O9 synthesized by solid state reaction and single crystal samples grown by optical floating zone have been characterized using scanning transmission electron microscopy and electron energy loss spectroscopy. Three types of B-site Mn and Nb ordering phase are observed: fully ordered 1Mn:2Nb; fully disordered; nano-sized 1Mn:1Nb ordered. No electronic structure change for crystals with different ordering/disordering. The Mn valence is determined to be 2+, and Nb valence is 5+. Oxygen 2p orbitals hybridize with Mn 3d and Nb 4d orbitals. Factors that affect the electron energy loss near edge structures of transition metal white-lines in electron energy loss spectroscopy are explicitly illustrated and discussed.



中文翻译:

Ba 3 MnNb 2 O 9钙钛矿氧化物的B位阳离子有序/无价态及其价态

利用扫描透射电子显微镜和电子能量损失谱对通过固相反应合成的多晶样品Ba 3 MnNb 2 O 9和通过光学浮区生长的单晶样品进行了表征。观察到三种类型的B位Mn和Nb有序相:完全有序的1Mn:2Nb;完全无序 纳米尺寸的1Mn:1Nb已订购。具有不同有序/无序的晶体的电子结构没有变化。Mn的价被确定为2+,而Nb的价被确定为5+。氧2p轨道与Mn 3d和Nb 4d轨道杂交。明确说明和讨论了影响电子能量损失谱中过渡金属白线边缘结构附近电子能量损失的因素。

更新日期:2018-03-07
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