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Correlated atomic wires on substrates. I. Mapping to quasi-one-dimensional models

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 Added by Eric Jeckelmann
 Publication date 2017
  fields Physics
and research's language is English




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We present a theoretical study of correlated atomic wires deposited on substrates in two parts. In this first part, we propose lattice models for a one-dimensional quantum wire on a three-dimensional substrate and map them onto effective two-dimensional lattices using the Lanczos algorithm. We then discuss the approximation of these two-dimensional lattices by narrow ladder models that can be investigated with well-established methods for one-dimensional correlated quantum systems, such as the density-matrix renormalization group or bosonization. The validity of this approach is studied first for noninteracting electrons and then for a correlated wire with a Hubbard electron-electron repulsion using quantum Monte Carlo simulations. While narrow ladders cannot be used to represent wires on metallic substrates, they capture the physics of wires on insulating substrates if at least three legs are used. In the second part [arXiv:1704.07359], we use this approach for a detailed numerical investigation of a wire with a Hubbard-type interaction on an insulating substrate.



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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 [arXiv:1704.07350]. 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 by studying the convergence with 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.
93 - Eric Jeckelmann 2020
We investigate the low-energy collective charge excitations (plasmons, holons) in metallic atomic wires deposited on semiconducting substrates. These systems are described by two-dimensional correlated models representing strongly anisotropic lattices or weakly coupled chains. Well-established theoretical approaches and results are used to study their properties: random phase approximation for anisotropic Fermi liquids and bosonization for coupled Tomonaga-Luttinger liquids as well as Bethe Ansatz and density-matrix renormalization group methods for ladder models. We show that the Fermi and Tomonaga-Luttinger liquid theories predict the same qualitative behavior for the dispersion of excitations at long wave lengths. Moreover, their scaling depends on the choice of the effective electron-electron interaction but does not characterize the dimensionality of the metallic state. Our results also suggest that such anisotropic correlated systems can exhibit two-dimensional dispersions due to the coupling between wires but remain quasi-one-dimensional strongly anisotropic conductors or retain typical features of Tomonaga-Luttinger liquids such as the power-law behaviour of the density of states at the Fermi energy. Thus it is possible that atomic wire materials such as Au/Ge(100) exhibit a mixture of features associated with one and two dimensional metals.
The anisotropic nature of the new two-dimensional (2D) material phosphorene, in contrast to other 2D materials such as graphene and transition metal dichalcogenide (TMD) semiconductors, allows excitons to be confined in a quasi-one-dimensional (1D) space predicted in theory, leading to remarkable phenomena arising from the reduced dimensionality and screening. Here, we report a trion (charged exciton) binding energy of 190 meV in few-layer phosphorene at room temperature, which is nearly one to two orders of magnitude larger than those in 2D TMD semiconductors (20-30 meV) and quasi-2D quantum wells (1-5 meV). Such a large binding energy has only been observed in truly 1D materials such as carbon nanotubes, whose optoelectronic applications have been severely hurdled by their intrinsically small optical cross-sections. Phosphorene offers an elegant way to overcome this hurdle by enabling quasi-1D excitonic and trionic behaviors in a large 2D area, allowing optoelectronic integration. We experimentally validated the quasi-1D nature of excitonic and trionic dynamics in phospherene by demonstrating completely linearly polarized light emission from excitons and trions. The implications of the extraordinarily large trion binding energy in a higher-than-one-dimensional material are far-reaching. It provides a room-temperature 2D platform to observe the fundamental many-body interactions in the quasi-1D region. The strong photoluminescence emission in phosphorene has been electrically tuned over a large spectral range at room temperature, which opens a new route for tunable light sources.
The electronic states in isolated single-wall carbon nanotubes (SWCNTs) have been considered as an ideal realization of a Tomonaga-Luttinger liquid (TLL). However, it remains unclear whether one-dimensional correlated states are realized under local environmental effects such as the formation of a bundle structure. Intertube effects originating from other adjacent SWCNTs within a bundle may drastically alter the one-dimensional correlated state. In order to test the validity of the TLL model in bundled SWCNTs, low-energy spin excitation is investigated by nuclear magnetic resonance (NMR). The NMR relaxation rate in bundled mixtures of metallic and semiconducting SWCNTs shows a power-law temperature dependence with a theoretically predicted exponent. This demonstrates that a TLL state with the same strength as that for effective Coulomb interactions is realized in a bundled sample, as in isolated SWCNTs. In bundled metallic SWCNTs, we found a power-law temperature dependence of the relaxation rate, but the magnitude of the relaxation rate is one order of magnitude smaller than that predicted by theory. Furthermore, we found an almost doubled magnitude of the Luttinger parameter. These results indicate suppressed spin excitations with reduced Coulomb interactions in bundled metallic SWCNTs, which are attributable to intertube interactions originating from adjacent metallic SWCNTs within a bundle. Our findings give direct evidence that bundling reduces the effective Coulomb interactions via intertube interactions within bundled metallic SWCNTs.
The photoconductivity spectra of NbS_3 (phase I) crystals are studied. A drop of photoconductivity corresponding to the Peierls gap edge is observed. Reproducible spectral features are found at energies smaller the energy gap value. The first one is a peak at the energy 0.6 eV that is close to the midgap one. It has a threshold-like dependence of the amplitude on the electrical field applied. Another feature is a peak at the energy 0.9 eV near to the edge of the gap. We ascribe the origin of this peak to the stacking faults. The third one are continuous states between these peaks at energies 0.6-0.8 eV. We observed bleaching of the photoconductivity even below zero at this energies in the high electric field (700 V/cm) and under additional illumination applied.
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