Crystal structure of ZnO:Li at 293 K and 19 K by x-ray diffraction

Abstract Crystal structures of single crystals of ferroelectric Zn1−xLixO and paraelectric ZnO were studied by X-ray diffraction at 293K and 19K. At 293 K, the Zn-O bond length decreases by an amount of 0.007 Å along c-axis associated with Li-substitution. It is about two orders smaller than the changes in typical ferroelectrics. At 19 K, the clear change of Zn-3d z2 electron is observed in the difference Fourier maps. This change in electronic distribution is important in the ferroelectricity in Zn1−xLixO.