We show how lattice Quantum Monte Carlo simulations can be used to calculate electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path integral formalism and use methods developed within the lattice QCD community for our numerical work and compare our results to empirical data of the Anti-Ferromagnetic Mott Insulating gap in large diameter tubes.
Different methods for extracting resonance parameters from Euclidean lattice field theory are tested. Monte Carlo simulations of the O(4) non-linear sigma model are used to generate energy spectra in a range of different volumes both below and above the inelastic threshold. The applicability of the analysis methods in the elastic region is compared. Problems which arise in the inelastic region are also emphasised.
We present a method for direct hybrid Monte Carlo simulation of graphene on the hexagonal lattice. We compare the results of the simulation with exact results for a unit hexagonal cell system, where the Hamiltonian can be solved analytically.
We perform quantum Monte Carlo simulations in the background of a classical black hole. The lattice discretized path integral is numerically calculated in the Schwarzschild metric and in its approximated metric. We study spontaneous symmetry breaking of a real scalar field theory. We observe inhomogeneous symmetry breaking induced by inhomogeneous gravitational field.
Recent NMR experiments by Singer et al. [Singer et al. Phys. Rev. Lett. 95, 236403 (2005).] showed a deviation from Fermi-liquid behavior in carbon nanotubes with an energy gap evident at low temperatures. Here, a comprehensive theory for the magnetic field and temperature dependent NMR 13C spin-lattice relaxation is given in the framework of the Tomonaga-Luttinger liquid. The low temperature properties are governed by a gapped relaxation due to a spin gap (~ 30K), which crosses over smoothly to the Luttinger liquid behaviour with increasing temperature.
Electronic compressibility, the second derivative of ground state energy with respect to total electron number, is a measurable quantity that reveals the interaction strength of a system and can be used to characterize the orderly crystalline lattice of electrons known as the Wigner crystal. Here, we measure the electronic compressibility of individual suspended ultraclean carbon nanotubes in the low-density Wigner crystal regime. Using low-temperature quantum transport measurements, we determine the compressibility as a function of carrier number in nanotubes with varying band gaps. We observe two qualitatively different trends in compressibility versus carrier number, both of which can be explained using a theoretical model of a Wigner crystal that accounts for both the band gap and the confining potential experienced by charge carriers. We extract the interaction strength as a function of carrier number for individual nanotubes and show that the compressibility can be used to distinguish between strongly and weakly interacting regimes.
Evan Berkowitz
,Christopher Koerber
,Stefan Krieg
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(2017)
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"Extracting the Single-Particle Gap in Carbon Nanotubes with Lattice Quantum Monte Carlo"
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Thomas Luu
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