TY - JOUR

T1 - Correlated atomic wires on substrates

T2 - II. Application to Hubbard wires

AU - Abdelwahab, Anas

AU - Jeckelmann, Eric

AU - Hohenadler, Martin

N1 - Funding information: This work was supported by the German Research Foundation (DFG) through SFB 1170 ToCoTronics and the Research Unit Metallic Nanowires on the Atomic Scale: Electronic and Vibrational Coupling in Real World Systems (FOR1700, Grant No. JE 261/1-1). Some of the DMRG calculations were carried out on the cluster system at the Leibniz Universitat Hannover. The authors gratefully acknowledge the computing time granted by the John von Neumann Institute for Computing (NIC) and provided on the supercomputer JURECA at the Julich Supercomputing Centre.

PY - 2017/7/31

Y1 - 2017/7/31

N2 - In the first part of our theoretical study of correlated atomic wires on substrates, we introduced lattice models for a one-dimensional quantum wire on a three-dimensional substrate and their approximation by quasi-one-dimensional effective ladder models [Abdelwahab et al., preceding paper, Phys. Rev. B 96, 035445 (2017)]. In this second part, we apply this approach to the case of a correlated wire with a Hubbard-type electron-electron repulsion deposited on an insulating substrate. The ground-state and spectral properties are investigated numerically using the density-matrix renormalization group method and quantum Monte Carlo simulations. As a function of the model parameters, we observe various phases with quasi-one-dimensional low-energy excitations localized in the wire, namely, paramagnetic Mott insulators, Luttinger liquids, and spin-1/2 Heisenberg chains. The validity of the effective ladder models is assessed for selected parameters by studying the dependence of results on the number of legs and comparing to the full three-dimensional model. We find that narrow ladder models accurately reproduce the quasi-one-dimensional excitations of the full three-dimensional model but predict only qualitatively whether excitations are localized around the wire or delocalized in the three-dimensional substrate.

AB - In the first part of our theoretical study of correlated atomic wires on substrates, we introduced lattice models for a one-dimensional quantum wire on a three-dimensional substrate and their approximation by quasi-one-dimensional effective ladder models [Abdelwahab et al., preceding paper, Phys. Rev. B 96, 035445 (2017)]. In this second part, we apply this approach to the case of a correlated wire with a Hubbard-type electron-electron repulsion deposited on an insulating substrate. The ground-state and spectral properties are investigated numerically using the density-matrix renormalization group method and quantum Monte Carlo simulations. As a function of the model parameters, we observe various phases with quasi-one-dimensional low-energy excitations localized in the wire, namely, paramagnetic Mott insulators, Luttinger liquids, and spin-1/2 Heisenberg chains. The validity of the effective ladder models is assessed for selected parameters by studying the dependence of results on the number of legs and comparing to the full three-dimensional model. We find that narrow ladder models accurately reproduce the quasi-one-dimensional excitations of the full three-dimensional model but predict only qualitatively whether excitations are localized around the wire or delocalized in the three-dimensional substrate.

KW - cond-mat.str-el

KW - cond-mat.mes-hall

UR - http://www.scopus.com/inward/record.url?scp=85027255827&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.96.035446

DO - 10.1103/PhysRevB.96.035446

M3 - Article

VL - 96

JO - Physical Review B

JF - Physical Review B

SN - 2469-9950

IS - 3

M1 - 035446

ER -