6 Crystal - Field Theory , Tight - Binding Method and Jahn - Teller Effect
نویسنده
چکیده
منابع مشابه
Influence of disorder on the structural phase transition and magnetic interactions in Ba3−xSrxCr2O8
The magnetic intradimer interaction constant J0 in the spin dimer system Ba3−xSrxCr2O8 can be tuned by varying the Sr content x. Very interestingly, this variation of J0 with x is highly nonlinear. In the present study, we show that this peculiar behavior of J0 can be only partly explained by the changes in the average crystal structure alone. We report on neutron powder diffraction experiments...
متن کاملSuperconducting Phase Transitions in 2+1 Dimensional Quantum Field Theories Modeling Generalized Polaronic Interactions I: Jahn-teller Inspired Models
We review the fundamentals of Jahn-Teller interactions and their field theoretical modelings and show that a 2+1 dimensional gauge theory where the gauge field couples to “flavored fermions” arises in a natural way from a two-band model describing the dynamical Jahn-Teller effect. The theory exhibits a second order phase transition to novel finite-temperature superconductivity.
متن کاملTHE ROLE OF JAHN-TELLER EFFECT ON THE MAGNETIC PROPERTIES OF Fe-BASED SEMIMAGNETIC SEMICONDUCTORS
We present energy spectrum calculations of 5E term of Fe++ ion taking into account crystal field, spin-orbit interaction, uniaxial stress, magnetic field and dynamic Jahn-Teller effect. Basing on the obtained energy spectra we calculate magnetic properties (specific heat and magnetization) of Fe-based Semimagnetic Semiconductors. We found that presence of the JahnTeller effect has very small in...
متن کاملO ct 2 00 1 Symmetry consideration and e g bands in NdNiO 3 and YNiO 3
Group theoretical analyses are applied to the magnetic and electronic structures of NdNiO3 and YNiO3, whose electronic structures have been studied very recently by the LSDA+U method. The space groups of the crystallographic structure of these materials are Pbnm and P21/n, respectively.[1,2] There are no Jahn-Teller distortion modes consistent with observed propagation vector of spin polarized ...
متن کاملEffect of Hubbard U on the construction of low-energy Hamiltonians for LaMnO3 via maximally localized Wannier functions
We use maximally localized Wannier functions to construct tight-binding (TB) parametrizations for the eg bands of LaMnO3 based on first-principles electronic structure calculations. We compare two different ways to represent the relevant bands around the Fermi level: (i) a d-p model that includes atomic-like orbitals corresponding to both Mn(d) and O(p) states in the TB basis, and (ii) an effec...
متن کامل