EXAFS evidence for a primary ZnLi dopant in LiNbO3

被引:15
作者
Bridges, F. [1 ,2 ]
Castillo-Torres, J. [3 ]
Car, B. [1 ]
Medling, S. [1 ]
Kozina, M. [1 ]
机构
[1] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA
[2] Chalmers Univ Technol, Dept Microtechnol & Nanosci, SE-41296 Gothenburg, Sweden
[3] Univ Tecnol Mixteca, Inst Fis & Matemat, Huajuapan De Leon Oaxaca 69000, Mexico
关键词
X-RAY-DIFFRACTION; FERROELECTRIC LITHIUM-NIOBATE; OPTICAL-DAMAGE RESISTANCE; SINGLE-CRYSTALS; DEFECT STRUCTURE; PHOTOREFRACTIVE PROPERTIES; LATTICE SITE; ABSORPTION; MECHANISM; IMPURITIES;
D O I
10.1103/PhysRevB.85.064107
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present extended x-ray-absorption fine structure (EXAFS) data as a function of temperature (10-300 K) at the Zn and Nb K edges for Zn-doped LiNbO3. The focus is on higher Zn concentrations (7-11 mol %) for which there is disagreement in the literature as to the substitution site for Zn. Our data show that Zn substitutes only on the Li site; we find no evidence for Zn on the Nb site. However, uncertainties result in an upper bound of at most 5% of the Zn dopants being Zn-Nb. In addition, the Zn-Li defect produces a significant distortion in the lattice out to at least 4 angstrom; the O atoms are attracted toward Zn while the Nb neighbors are repulsed. The Nb EXAFS agree well with the structure from diffraction for the main Nb-X peaks out to about 3.7 angstrom. However, there appears to be a weak third Nb-O peak in the first O shell, which has a low amplitude and a longer bond length. For Nb, the shortest Nb-O bond is extremely stiff (correlated Debye temperature, theta(cD) similar to 1100 K), while the longer Nb-O bond is a little weaker (theta(cD) similar to 725 K) and of comparable strength to the shortest Zn-O bond (theta(cD) similar to 600 K); consequently, substituting Zn at the Li site will stiffen the structure as the Li-O bonds are weak. We discuss implications of a dominant Zn-Li defect.
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页数:12
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