Papers
Topics
Authors
Recent
Gemini 2.5 Flash
Gemini 2.5 Flash
157 tokens/sec
GPT-4o
8 tokens/sec
Gemini 2.5 Pro Pro
46 tokens/sec
o3 Pro
4 tokens/sec
GPT-4.1 Pro
38 tokens/sec
DeepSeek R1 via Azure Pro
28 tokens/sec
2000 character limit reached

A possibility of high spin hole states in doped CoO$_2$ layered systems (1308.0705v1)

Published 3 Aug 2013 in cond-mat.str-el and cond-mat.mtrl-sci

Abstract: We introduce and investigate an effective five-band model for $t_{2g}$ and $e_g$ electrons to describe doped cobalt oxides with Co${3+}$ and Co${4+}$ ions in two-dimensional CoO$2$ triangular lattice layers, as in Na${1-x}$CoO$_2$. The effective Hamiltonian includes anisotropic kinetic energy (due to both direct Co-Co and indirect Co-O-Co hoppings), on-site Coulomb interactions parameterized by intraorbital Hubbard repulsion $U$ and full Hund's exchange tensor, crystal-field terms and Jahn-Teller static distortions. We study it using correlated wave functions on $6\times 6$ clusters with periodic boundary conditions. The computations indicate low S=0 spin to high S=2 spin abrupt transition in the undoped systems when increasing strength of the crystal field, while intermediate S=1 spins are not found. Surprisingly, for the investigated realistic Hamiltonian parameters describing low spin states in CoO$_2$ planes, doping generates high $S=\frac{5}{2}$ spins at Co${4+}$ ions that are pairwise bound into singlets, seen here as pairs of up and down spins. It is found that such singlet pairs self-organize at higher doping into lines of spins with coexisting antiferromagnetic and ferromagnetic bonds, forming stripe-like structures. The ground states are insulating within the investigated range of doping because computed HOMO-LUMO gaps are never small enough.

Summary

We haven't generated a summary for this paper yet.