title: Lattice distortion and orbital hybridization in NdFeO3-PbTiO3 ferroelectric thin films.
abstract: Single-phase xNdFeO3-(1 - x)PbTiO3 thin films with different dopant contents were fabricated on the Pt(111)/Ti/SiO2/Si substrate by a sol-gel route. Grain size was influenced by the dopant content effectively. A synchrotron radiation X-ray diffraction study revealed a reduced tetragonality (c/a) of the PbTiO3 lattice in the films. Distortion of the TiO6 octahedron was weakened, as investigated by Raman scattering and X-ray absorption spectra. An electronic structural study indicated that the hybridizations between O 2p and Pb 6s and Ti 3d orbitals were weakened. The decrease of lattice distortion and orbital hybridization gives rise to degradation of the ferroelectric nature in the films.
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, P. R. China. xing@ustb.edu.cn.
authors.forename: Hanqing
authors.initials: H
authors.lastname: Zhao
authors.affiliation: School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083, China.
authors.forename: Jun
authors.initials: J
authors.lastname: Miao
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, P. R. China. xing@ustb.edu.cn.
authors.forename: Linxing
authors.initials: L
authors.lastname: Zhang
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, P. R. China. xing@ustb.edu.cn.
authors.forename: Yangchun
authors.initials: Y
authors.lastname: Rong
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, P. R. China. xing@ustb.edu.cn.
authors.forename: Jun
authors.initials: J
authors.lastname: Chen
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, P. R. China. xing@ustb.edu.cn.
authors.forename: Jinxia
authors.initials: J
authors.lastname: Deng
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, P. R. China. xing@ustb.edu.cn.
authors.forename: Ranbo
authors.initials: R
authors.lastname: Yu
authors.affiliation: Institute of Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China.
authors.forename: Jiangli
authors.initials: J
authors.lastname: Cao
authors.affiliation: Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, China.
authors.forename: Huanhua
authors.initials: H
authors.lastname: Wang
authors.affiliation: Department of Physical Chemistry, University of Science and Technology Beijing, Beijing 100083, P. R. China. xing@ustb.edu.cn.
authors.forename: Xianran
authors.initials: X
authors.lastname: Xing