Lattice thermal conductivity of graphene with conventionally isotopic defects

The thermal conductivity of doped graphene flake of finite size is investigated with emphasis on the influence of mass of substituting atoms on this property. It is shown that the graphene doping by small concentrations of relatively heavy atoms results in a disproportionately impressive drop of lattice thermal conductivity.Comment: 12 pages, 3 figure

Low-temperature thermal conductivity in polycrystalline graphene

The low-temperature thermal conductivity in polycrystalline graphene is theoretically studied. The contributions from three branches of acoustic phonons are calculated by taking into account scattering on sample borders, point defects and grain boundaries. Phonon scattering due to sample borders and grain boundaries is shown to result in a $T^{\alpha}$-behaviour in the thermal conductivity where $\alpha$ varies between 1 and 2. This behaviour is found to be more pronounced for nanosized grain boundaries. PACS: 65.80.Ck, 81.05.ue, 73.43.C

Thermal Conductivity and Thermal Rectification in Graphene Nanoribbons: a Molecular Dynamics Study

We have used molecular dynamics to calculate the thermal conductivity of symmetric and asymmetric graphene nanoribbons (GNRs) of several nanometers in size (up to ~4 nm wide and ~10 nm long). For symmetric nanoribbons, the calculated thermal conductivity (e.g. ~2000 W/m-K @400K for a 1.5 nm {\times} 5.7 nm zigzag GNR) is on the similar order of magnitude of the experimentally measured value for graphene. We have investigated the effects of edge chirality and found that nanoribbons with zigzag edges have appreciably larger thermal conductivity than nanoribbons with armchair edges. For asymmetric nanoribbons, we have found significant thermal rectification. Among various triangularly-shaped GNRs we investigated, the GNR with armchair bottom edge and a vertex angle of 30{\deg} gives the maximal thermal rectification. We also studied the effect of defects and found that vacancies and edge roughness in the nanoribbons can significantly decrease the thermal conductivity. However, substantial thermal rectification is observed even in the presence of edge roughness.Comment: 13 pages, 5 figures, slightly expanded from the published version on Nano Lett. with some additional note

Simulation of heat transport in low-dimensional oscillator lattices

The study of heat transport in low-dimensional oscillator lattices presents a formidable challenge. Theoretical efforts have been made trying to reveal the underlying mechanism of diversified heat transport behaviors. In lack of a unified rigorous treatment, approximate theories often may embody controversial predictions. It is therefore of ultimate importance that one can rely on numerical simulations in the investigation of heat transfer processes in low-dimensional lattices. The simulation of heat transport using the non-equilibrium heat bath method and the Green-Kubo method will be introduced. It is found that one-dimensional (1D), two-dimensional (2D) and three-dimensional (3D) momentum-conserving nonlinear lattices display power-law divergent, logarithmic divergent and constant thermal conductivities, respectively. Next, a novel diffusion method is also introduced. The heat diffusion theory connects the energy diffusion and heat conduction in a straightforward manner. This enables one to use the diffusion method to investigate the objective of heat transport. In addition, it contains fundamental information about the heat transport process which cannot readily be gathered otherwise.Comment: Article published in: Thermal transport in low dimensions: From statistical physics to nanoscale heat transfer, S. Lepri, ed. Lecture Notes in Physics, vol. 921, pp. 239 - 274, Springer-Verlag, Berlin, Heidelberg, New York (2016

Crystal Phase Quantum Well Emission with Digital Control

One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier. The energy spacing between the sharp emission lines is uniform and is defined by the addition of single ZB monolayers. The controlled growth of identical quantum wells with atomically flat interfaces at predefined positions featuring digitally tunable discrete emission energies may provide a new route to further advance entangled photons in solid state quantum systems

Phonons and thermal transport in Si/SiO2_2 multishell nanotubes: Atomistic study

Thermal transport in the Si/SiO$_2$ multishell nanotubes is investigated theoretically. The phonon energy spectra are obtained using the atomistic Lattice Dynamics approach. Thermal conductivity is calculated using the Boltzmann transport equation within the relaxation time approximation. Redistribution of the vibrational spectra in multishell nanotubes leads to a decrease of the phonon group velocity and the thermal conductivity as compared to homogeneous Si nanowires. Phonon scattering on the Si/SiO$_2$ interfaces is another key factor of strong reduction of the thermal conductivity in these structures (down to 0.2 W/mK at room temperature). We demonstrate that phonon thermal transport in Si/SiO$_2$ nanotubes can be efficiently suppressed by a proper choice of nanotube's geometrical parameters: lateral cross-section, thickness and number of shells.Comment: 14 pages, 4 figure

Thermal Properties of Graphene, Carbon Nanotubes and Nanostructured Carbon Materials

Recent years witnessed a rapid growth of interest of scientific and engineering communities to thermal properties of materials. Carbon allotropes and derivatives occupy a unique place in terms of their ability to conduct heat. The room-temperature thermal conductivity of carbon materials span an extraordinary large range - of over five orders of magnitude - from the lowest in amorphous carbons to the highest in graphene and carbon nanotubes. I review thermal and thermoelectric properties of carbon materials focusing on recent results for graphene, carbon nanotubes and nanostructured carbon materials with different degrees of disorder. A special attention is given to the unusual size dependence of heat conduction in two-dimensional crystals and, specifically, in graphene. I also describe prospects of applications of graphene and carbon materials for thermal management of electronics.Comment: Review Paper; 37 manuscript pages; 4 figures and 2 boxe

Anomalous Heat Conduction and Anomalous Diffusion in Low Dimensional Nanoscale Systems

Thermal transport is an important energy transfer process in nature. Phonon is the major energy carrier for heat in semiconductor and dielectric materials. In analogy to Ohm's law for electrical conductivity, Fourier's law is a fundamental rule of heat transfer in solids. It states that the thermal conductivity is independent of sample scale and geometry. Although Fourier's law has received great success in describing macroscopic thermal transport in the past two hundreds years, its validity in low dimensional systems is still an open question. Here we give a brief review of the recent developments in experimental, theoretical and numerical studies of heat transport in low dimensional systems, include lattice models, nanowires, nanotubes and graphenes. We will demonstrate that the phonon transports in low dimensional systems super-diffusively, which leads to a size dependent thermal conductivity. In other words, Fourier's law is breakdown in low dimensional structures