Investigation of defect structure of impurity-doped lithium niobate by combining thermodynamic constraints with lattice constant variations
Investigation of defect structure of impurity-doped lithium niobate by combining thermodynamic constraints with lattice constant variations
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DOI：
10.1063/1.4905286
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发表时间：
2015-01
影响因子：
3.2
通讯作者：
Chihiro Koyama;J. Nozawa;K. Maeda;K. Fujiwara;S. Uda
中科院分区：
文献类型：
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作者：
Chihiro Koyama;J. Nozawa;K. Maeda;K. Fujiwara;S. Uda
在反位铌（NbLi）存在的浓度范围内，测定了杂质掺杂的同成分LiNbO 3（c-LN）的缺陷结构，其中杂质包括二价、三价和四价杂质。根据“Li位空位模型”，掺杂c-LN中可能存在六种缺陷结构。使用热力学约束，这些可以缩小到两种。第一种结构是其中杂质、空位和Nb作为缺陷存在于Li位中并且在Nb位中不存在缺陷的结构（结构A），其被描述为{[LiLi] 1-5x-jy[NbLi]x[MLi]y[VLi]4x+（j-1）y}[NbNb][OO] 3（V：空位，M：杂质，j：杂质的价态，x，y：组成变量（100），Li/Nb =同成分比）。{[LiLi×] 1-5x-2 y [NbLi····]x[MLi·]y[VLi′]4x+y}[NbNb×][OO×] 3是二价M的Kroger-Vink表示法的一个例子。在第二种结构中，空位和Nb作为缺陷存在于Li位置，杂质作为缺陷存在于Nb位置（结构B），.
The defect structures of impurity-doped congruent lithium niobates (c-LN) were determined for impurities with various valences, including divalent, trivalent, and tetravalent impurities, in a concentration range where antisite niobium (NbLi) exists. On the basis of the “Li site vacancy model,” six kinds of defect structures in impurity-doped c-LN are possible. Using thermodynamic constraints, these can be narrowed down to two kinds. The first structure is that in which impurities, vacancies and Nb exist as defects in the Li site and no defects exist in the Nb site (structure A), described as {[LiLi] 1-5x-jy[NbLi]x[MLi]y[VLi]4x+(j-1)y}[NbNb][OO] 3 (V: vacancy, M: impurity, j: valence of impurity, x, y: compositional variable (≠0), Li/Nb = congruent ratio). {[LiLi×] 1-5x-2y[NbLi••••]x[MLi•]y[VLi′]4x+y}[NbNb×][OO×] 3 is an example by the Kroger-Vink notation for divalent M. In the second structure, vacancies and Nb exist as defects in the Li site and impurities exist as defects in the Nb site (structure B), ...