Abstract
A model is proposed for the LaTiO3 compound, which allows for the strong coupling of the lattice, orbital, and magnetic subsystems of this crystal. The interaction of the lattice with the electronic structure of the LaTiO3 compound is described by the vibronic Hamiltonian with the constants calculated using the ab initio Hartree-Fock-Roothaan method with the inclusion of the electron correlations. It is demonstrated that a considerable contribution to the formation of the orbital structure of the LaTiO3 compound is made by the next-nearest neighbors of the Ti3+ ion. The orbital-dependent superexchange interactions in LaTiO3 are described within the Hubbard model and agree well with experiment.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
