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Published on: March 24, 2019
A ground state phase diagram of a spinless, extended Falicov-Kimball model on the triangular lattice
Umesh K Yadav1, T Maitra, Ishwar Singh
1Department of Physics, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, India.
Abstract:
Correlated systems with hexagonal layered structures have come to the fore with renewed interest in cobaltates, transition metal dichalcogenides and GdI(2). While superconductivity, unusual metal and possible exotic states (prevented from long-range order by strong local fluctuations) appear to come from frustration and correlation working in tandem in such systems, they freeze at a lower temperature to crystalline states. The underlying effective Hamiltonian in some of these systems is believed to be the Falicov-Kimball model and therefore, a thorough study of the ground state of this model and its extended version on a non-bipartite lattice is important. Using a Monte Carlo search algorithm, we identify a large number of different possible ground states with charge order as well as valence and metal-insulator transitions. Such competing states, close in energy, give rise to complex charge order and other broken symmetry structures as well as the phase segregations observed in the ground state of these systems.
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To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
