Eur. Phys. J. Appl. Phys.
Volume 53, Number 2, February 2011
|Number of page(s)||5|
|Section||Imaging, Microscopy and Spectroscopy|
|Published online||28 January 2011|
Studies on the local structures and spin Hamiltonian parameters for the rhombic Nb4+ centers in MO2 (M = Sn, Ti and Ge) crystals
Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu, 610054, P.R. China
2 International Centre for Materials Physics, Chinese Academy of Sciences, Shenyang, 110016, P.R. China
Corresponding author: email@example.com
Accepted: 29 November 2010
Published online: 28 January 2011
The local structures and the spin Hamiltonian parameters for the substitutional Nb4+ centers in MO2 (M = Sn, Ti and Ge) crystals are theoretically studied using the perturbation formulas of these parameters for a 4d1 ion in a rhombically compressed octahedron. The above Nb4+ centers are found to experience the Jahn-Teller distortions, characteristic of the relative axial compressions (~ 0.01–0.02 Å) and the non-axial (planar) angular increases (~ 3°). As a result, the ligand octahedra are transformed from original elongation on host tetravalent cation sites to compression in the impurity centers, with additional non-axial distortions smaller than those in the hosts. The influences of the Jahn-Teller distortions and the ligand orbital contributions are also analyzed.
© EDP Sciences, 2011
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.