Linear conductance of multiwalled carbon nanotubes at high temperatures

We have studied the electrical conductance of gas-desorbed multiwalled carbon nanotubes (MWNTs) at high temperatures, and found a peculiar linear temperature dependence of conductance over a wide temperature range from 100 to 800 K. We interpret this phenomenon by using a thermal activation picture of conduction channels below the gap in the vicinity of the Dirac points. The result also indicates a very short and temperature-independent electron mean free path in our MWNTs, and provides a way to determine the number of residual conduction channels in the MWNTs.     

Universal features of quantized thermal conductance of carbon nanotubes

The universal features of quantized thermal conductance of carbon nanotubes (CNTs) are revealed through a theoretical analysis based on the Landauer theory of heat transport. The phonon-derived thermal conductance of semiconducting CNTs exhibits a universal quantization in the low-temperature limit, independent of the radius or atomic geometry. The temperature dependence follows a single curve given in terms of temperature scaled by the phonon energy gap. The thermal conductance of metallic CNTs has an additional contribution from electronic states, which also exhibits quantized behavior up to room temperature.     

Dimensional crossover of thermal conductance in graphene nanoribbons: a first-principles approach

First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly demonstrated with increasing ribbon width. The thermal conductance of GNRs of a few nanometers width already exhibits an approximate low-temperature dependence of T(1.5), like that of 2D graphene sheets which is attributed to the quadratic nature of the dispersion relation for the out-of-plane acoustic phonon modes. Using a zone-folding method, we heuristically derive the dimensional crossover of thermal conductance with the increase of ribbon width. Combining our calculations with the experimental phonon mean-free path, some typical values of thermal conductivity at room temperature are estimated for GNRs and for 2D graphene sheet. Our findings clarify the issue of the low-temperature dependence of thermal transport in GNRs and suggest a calibration range of thermal conductivity for experimental measurements in graphene-based materials.     

碳纳米管的热导率:从弹道到扩散输运

采用非平衡分子动力学方法研究了300 K和1000 K时（5,5）碳纳米管热导率随长度的变化.在室温下,碳纳米管长度小于40 nm时热导率与长度呈线性关系,此时导热处于弹道输运阶段,单位面积弹道热导为5.88×10⁹ Wm^-2K^-1．随着碳纳米管长度的增加,其热导率逐渐增加,但增加速度随长度逐渐减小,此时导热处于弹道—扩散输运阶段,并随长度的增加从以弹道输运为主向以扩散输运为主转变．长度大于10 μm时由于弹道输运可以忽略,导热近似达到完全 关键词： 碳纳米管 热导率 弹道输运 低维导热     

The effect of confinement on the electron thermal conductance of a nanocrystal

Coulomb blockade oscillations are found in the electron thermal conductance of a quantum dot (nanocrystal) in the regime of weak coupling with two electrode leads that is calculated within a linear response theory. An analytical expression is obtained in the quantum limit where electron level spacing is non-negligible. The effect of confinement on the electron thermal conductance is thereby explicitly shown. It is shown that in the quantum limit the periodicity of the Coulomb-blockade oscillations of the electron thermal conductance is the same as of the conductance. The shape and the magnitude of the electron thermal conductance depend explicitly on the temperature and the energy level spacing. It is found that the electron thermal conductance decreases nearly exponentially with increasing confinement and decreasing temperature.     

Thermal conductance in quantum wire with two obstacles

Based on the scattering-matrix method, the influence of obstacles on the thermal conductance in quantum wire was investigated. Three types of obstacles are employed in our calculation. We present a detailed study of the thermal conductance as a function of distance between two obstacles and temperature. The results show that there is qualitative difference in the dependence of the thermal conductance versus width between two obstacles for different temperatures. We also find that the calculated thermal conductance increases with the width W of quantum wire in all cases.     

Phonon thermal conductance of disordered graphene strips with armchair edges

Based on the model of lattice dynamics together with the transfer matrix technique, we investigate the thermal conductances of phonons in quasi-one-dimensional disordered graphene strips with armchair edges using Landauer formalism for thermal transport. It is found that the contributions to thermal conductance from the phonon transport near von Hove singularities is significantly suppressed by the presence of disorder, on the contrary to the effect of disorder on phonon modes in other frequency regions. Besides the magnitude, for different widths of the strips, the thermal conductance also shows different temperature dependence. At low temperatures, the thermal conductance displays quantized features of both pure and disordered graphene strips implying that the transmission of phonon modes at low frequencies are almost unaffected by the disorder.     

Plateau in the temperature dependence of the thermal conductivity of solid hydrogen containing heavy isotopic neon impurities at ultimately low concentrations

The thermal conductivity of solid hydrogen with 0.0001–0.0002 at. % Ne in the form of equilibrium samples grown at a low rate after remelting is investigated in the temperature range 1.5–10.0 K. It is demonstrated that the temperature dependence of the thermal conductivity for the samples containing neon at concentrations considerably lower than the limiting solubility of the heavy impurity exhibits a symmetric plateau. This behavior of the temperature dependence of the thermal conductivity differs qualitatively from the previously observed resonance minimum in the temperature dependence of the thermal conductivity for desublimated samples. A relaxation model is proposed for explaining the observed effect. According to this model, the plateau is explained by the formation of linear impurity structures that are located along dislocation lines and considerably enhance phonon scattering by dislocation cores. The density of linear impurity structures is estimated. The influence of these structures on the thermal conductivity is compared with the corresponding effect of uniformly distributed individual neon atoms in solid hydrogen.     

Electron transport in double-walled carbon nanotubes

The transport properties of finite length double-walled carbon nanotubes subject to the influences of a transverse electric field and a magnetic field with varying polar angles are investigated theoretically. The electrical conductance, thermal conductance and Peltier coefficient dependences on the external fields and symmetric configuration are studied in linear response regime. Prominent peak structures of the electrical conductance are predicted when varying the electric field strength. The features of the conductance peaks are found to be strongly dependent on the external fields and the intertube interactions. The heights of the electrical and thermal conductance peaks display the quantized behavior, while those of the Peltier coefficient do not. The conductance peaks are found to be broadened by the finite temperature.     

Universal conductance of nanowires near the superconductor-metal quantum transition

We consider wires near a zero temperature transition between superconducting and metallic states. The critical theory obeys hyperscaling, which leads to a universal frequency, temperature, and length dependence of the conductance; quantum and thermal phase slips are contained within this critical theory. Normal, superconducting, and mixed (SN) leads on the wire determine distinct universality classes. For the SN case, wires near the critical point have a universal dc conductance which is independent of the length of the wire at low temperatures.     

Transport spectroscopy of Kondo quantum dots coupled by RKKY interaction

We develop the theory of conductance of a quantum dot which carries a spin and is coupled via RKKY interaction to another spin-carrying quantum dot. The found dependence of the differential conductance on the bias and magnetic field at a fixed RKKY interaction strength may allow one to distinguish between the possible ground states of the system. Transitions between the ground states are achieved by tuning the RKKY interaction, and the nature of these transitions can be extracted from the temperature dependence of the linear conductance. The feasibility of the corresponding measurements is evidenced by recent experiments by Craig et al.     

Conductance of bilayer graphene nanoribbons with different widths

The electronic and transport properties of bilayer graphene nanoribbons with different width are investigated theoretically by using the tight-binding model. The energy dispersion relations are found to exhibit significant dependence on the interlayer interactions and the geometry of the bilayer graphene nanoribbons. The energy gaps are oscillatory with the upper ribbon displacement. For all four types of bilayer graphene nanoribbons, the bandgaps touch the zero value and exhibit semiconductor–metal transitions. Variations in the electronic structures with the upper ribbon displacement will be reflected in the electrical and thermal conductance. The chemical-potential-dependent electrical and thermal conductances exhibit a stepwise increase and spike behavior. These conductances can be tuned by varying the upper ribbon displacement. The peak and trench structures of the conductance will be stretched out as the temperature rises. In addition, quantum conductance behavior in bilayer graphene nanoribbons can be observed experimentally at temperature below 10 K.     

Thermal properties of single-walled carbon nanotube crystal

In this work, the thermal properties of a single-walled carbon nanotube (SWCNT) crystal are studied. The thermal conductivity of the SWCNT crystal is found to have a linear dependence on temperature in the temperature range from 1.9 K to 100.0 K. In addition, a peak (658 W/mK) is found at a temperature of about 100.0 K. The thermal conductivity decreases gradually to a value of 480 W/mK and keeps almost a constant in the temperature range from 100.0 K to 300.0 K. Meanwhile, the specific heat shows an obvious linear relationship with temperature in the temperature range from 1.9 K to 300.0 K. We discuss the possible mechanisms for these unique thermal properties of the single-walled carbon nanotube crystal.     

Thermal nonlinearity in a photoacoustic cell

The effect of the thermal nonlinearity caused by the temperature dependence of the specific heat and thermal conductivity of a sample, substrate, and air on the temperature field in a photoacoustic cell is stud-ied theoretically. Exact solutions are obtained for a steady temperature field with allowance for thermal nonlin-earity and for a nonsteady field without allowance for this nonlinearity. The nonsteady nonlinear problem was solved numerically. It is shown that, due to thermal nonlinearity, the linear dependence of the temperature of the irradiated surface on the heating beam intensity gradually transforms into a power-law dependence as the beam intensity increases.     

Electron transport in nanotube-ribbon hybrids

The electronic and transport properties of nanotube-ribbon hybrids subject to the influences of a transverse electric field are investigated theoretically. The energy dispersion relations are found to exhibit rich dependence on the nanotube-ribbon interactions, the field strength, and the geometry of the hybrids. The nanotube-ribbon coupling will modify the subband curvature, create additional band-edge states, and change the subband spacing or energy gap. The bandstructures are asymmetric and symmetric about the Fermi energy when the interactions are turned on and off, respectively. The inclusion of a transverse electric field will further alter the bandstructures and lift the degeneracy of the partial flat bands in hybrid (IV). The chemical-potential-dependent electrical and thermal conductance exhibit a stepwise increase behavior. Variations in the electronic structures with field strength will be reflected in the electrical and thermal conductance. Prominent peaks, as well as single-shoulder and multi-shoulder structures in the electrical and thermal conductance are predicted when varying the electric field strength and the nanotube location. The features of the conductance are found to be strongly dependent on the field strength, the geometry and the temperature.     

Transport properties of AB-stacked bilayer graphene nanoribbons in an electric field

The electronic and thermal properties of AB-stacked bilayer graphene nanoribbons subject to the influences of a transverse electric field are investigated theoretically, including their transport properties. The dispersion relations are found to exhibit a rich dependence on the interlayer interactions, the field strength, and the geometry of the layers. The interlayer coupling will modify the subband curvature, create additional band-edge states, change the subband spacing or energy gap, and separate the partial flat bands. The bandstructures will be symmetric or asymmetric about the Fermi energy for monolayer or bilayer nanoribbons, respectively. The inclusion of a transverse electric field will further alter the bandstructures and lift the degeneracy of the partial flat bands. The chemical-potential-dependent electrical and thermal conductance exhibit a stepwise increase behavior. Variations in the electronic structures with field strength will be reflected in the electrical and thermal conductance. Prominent peaks, as well as single-shoulder and multi-shoulder structures in the electrical and thermal conductance are predicted when varying the electric field strength. The features of the conductance are found to be strongly dependent on the field strength, the geometry, interlayer interactions and temperature.     

Heat capacity anomaly in UO2 in the vicinity of 1300 K: an improved description based on high resolution X-ray and neutron powder diffraction studies

X-ray and neutron powder diffraction studies of UO₂ were performed under controlled oxygen partial pressure between room temperature and 1673 K. More than 40 neutron diffraction patterns were recorded. The thermal expansion coefficient of UO₂ and the temperature dependence of Debye-Waller factors for oxygen and uranium atoms were determined. The dependence of Debye-Waller factors as a function of temperature is linear and the thermal expansion coefficient follows the classical Debye regime within the temperature range 300-1000 K. Above 1200 K, a departure from this quasi-harmonic behavior is clearly observed. Both an abnormal increase of the thermal expansion and of the oxygen sublattice disorder are evidenced. The departure of the lattice parameter from a linear thermal variation is found to be thermally activated with an effective activation energy close to 1 eV, very similar to the activation energy already found for the electrical conductivity. This new result suggests that polarons may affect the mean lattice parameter. A new thermodynamic model is then proposed to explain the heat capacity thermal variation by only three contributions: harmonic phonons, thermal expansion and polarons.     

嵌入线型缺陷的石墨纳米带的热输运性质

采用非平衡格林函数方法研究了嵌入有限长、半无限长、 无限长线型缺陷的锯齿型石墨纳米带 (ZGNR)的热输运性质.结果表明, 缺陷类型和缺陷长度对ZGNR的热导有重要影响. 当嵌入的线型缺陷长度相同时, 包含t5t7线型缺陷的石墨纳米带比包含Stone-Wales线型缺陷的条带热导低. 对于嵌入有限长、同种缺陷的ZGNR, 其热导随线型缺陷的长度增加而降低, 但是当线型缺陷很长时, 其热导对缺陷长度的变化不再敏感.通过比较嵌入有限长、半无限长、无限长线型缺陷的ZGNR, 我们发现嵌入无限长缺陷的条带比嵌入半无限长缺陷的条带热导高, 而后者比嵌入有限长线型缺陷的条带热导高. 这主要是因为在这几种结构中声子传输方向的散射界面数不同所导致的. 散射界面越多, 对应的热导就越低. 通过分析透射曲线和声子局域态密度图, 解释了这些热输运现象. 这些研究结果表明线型缺陷能够有效地调控石墨纳米带的热输运性质. 关键词： 石墨烯 线型缺陷 热导     

The effects of vacancy defects and nitrogen doping on the thermal conductivity of armchair (10, 10) single-wall carbon nanotubes

The influence of vacancy defects and nitrogen doping on the thermal conductivity of typical armchair (10, 10) single-walled carbon nanotubes is investigated using molecular dynamics (MD) simulation. The second-generation reactive empirical bond order potential and Tersoff potential are used to describe the interatomic interactions and the thermal conductivities are calculated using the Müller-Plathe approach (also called non-equilibrium MD simulation). Vacancy defects decrease the thermal conductivity whereas the substitution of nitrogen at vacancy sites improves the thermal conductivity. Quantum correction of the calculated results produces a thermal conductance temperature dependence that is in qualitative agreement with experimental data.     

Effects of spin and exchange interaction on the Coulomb-blockade peak statistics in quantum dots

We derive a closed expression for the linear conductance through a quantum dot in the Coulomb-blockade regime in the presence of a constant exchange interaction. With this expression we calculate the temperature dependence of the conductance peak-height and peak-spacing statistics in chaotic quantum dots. Using a realistic value of the exchange interaction, we find significantly better agreement with experimental data as compared with the statistics obtained in the absence of exchange.