Effective Hamiltonian for the electronic properties of the quasi-one-dimensional material Li0.9Mo6O17

Merino, Jaime and McKenzie, Ross H. (2012) Effective Hamiltonian for the electronic properties of the quasi-one-dimensional material Li0.9Mo6O17. Physical Review B, 85 23: . doi:10.1103/PhysRevB.85.235128

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Author Merino, Jaime
McKenzie, Ross H.
Title Effective Hamiltonian for the electronic properties of the quasi-one-dimensional material Li0.9Mo6O17
Formatted title
Effective Hamiltonian for the electronic properties of the quasi-one-dimensional material Li0.9Mo6O17
Journal name Physical Review B   Check publisher's open access policy
ISSN 1098-0121
1550-235X
Publication date 2012-06-18
Year available 2012
Sub-type Article (original research)
DOI 10.1103/PhysRevB.85.235128
Open Access Status File (Publisher version)
Volume 85
Issue 23
Total pages 12
Place of publication College Park, MD, United States
Publisher American Physical Society
Collection year 2013
Language eng
Formatted abstract
The title material has a quasi-one-dimensional electronic structure and is of considerable interest because it has a metallic phase with properties different from a simple Fermi liquid, a poorly understood “insulating” phase, and a superconducting phase which may involve spin triplet Cooper pairs. Using the Slater-Koster approach and comparison with published band-structure calculations we present the simplest possible tight-binding model for the electronic band structure near the Fermi energy. This describes a set of ladders with weak (and frustrated) interladder hopping. In the corresponding lattice model the system is actually close to one-quarter filling (i.e., one electron per pair of sites) rather than half-filling, as has often been claimed.We consider the simplest possible effective Hamiltonian that may capture the subtle competition between unconventional superconducting, charge ordered, and non-Fermi liquid metal phases. We argue that this is an extended Hubbard model with long-range Coulomb interactions. Estimates of the relevant values of the parameters in the Hamiltonian are given. Nuclear magnetic resonance relaxation rate experiments should be performed to clarify the role of charge fluctuations in Li0.9Mo6O17 associated with the proximity to a Coulomb driven charge ordering transition.
Keyword Purple bronze Li0.9Mo6O17
Tomonaga Luttinger liquid
Spin charge separation
Transport properties
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Article # 235128

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Mathematics and Physics
Official 2013 Collection
 
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