arXiv subjects

Jian-Sheng Wang

Publications and source records attributed to Jian-Sheng Wang.

At least 91 records · Page 5Linked to original sources

arXiv2013

Topological Magnon Insulator in Insulating Ferromagnet

In the ferromagnetic insulator with Dzyaloshinskii-Moriya interaction, we theoretically predict and numerically verify a topological magnon insulator, where the charge-free magnon is topologically protected to transport along the edge while it is insulating in the bulk. Within the bulk band gaps, edge states form a connected loop as a $4π$- or $8π$-period Möbius strip in the wave vector space. As a consequence, the chiral energy current traveling along the corresponding edge is topologically protected from defects or disorders. Using the nonequilibrium Green's function method, we demonstrate that the energy current carried by magnons with energy in the bulk gap localizes at edges and prefers to travel along one edge in only one direction at nonequilibrium steady state. Our prediction about topological magnon insulator could be observed at a wide energy range in the thin film of the insulating ferromagnet, such as Lu$_2$V$_2$O$_7$.

cond-mat.mes-hall↗

arXiv2013

Nonequilibrium Green's function method for quantum thermal transport

This review deals with the nonequilibrium Green's function (NEGF) method applied to the problems of energy transport due to atomic vibrations (phonons), primarily for small junction systems. We present a pedagogical introduction to the subject, deriving some of the well-known results such as the Laudauer-like formula for heat current in ballistic systems. The main aim of the review is to build the machinery of the method so that it can be applied to other situations, which are not directly treated here. In addition to the above, we consider a number of applications of NEGF, not in routine model system calculations, but in a few new aspects showing the power and usefulness of the formalism. In particular, we discuss the problems of multiple leads, coupled left-right-lead system, and system without a center. We also apply the method to the problem of full counting statistics. In the case of nonlinear systems, we make general comments on the thermal expansion effect, phonon relaxation time, and a certain class of mean-field approximations. Lastly, we examine the relationship between NEGF, reduced density matrix, and master equation approaches to thermal transport.

cond-mat.mes-hall↗

arXiv2013

Classical Heat Transport in Anharmonic Molecular Junctions: Exact Solutions

We study full counting statistics for classical heat transport through anharmonic/nonlinear molecular junctions formed by interacting oscillators. Analytical result of the steady state heat flux for an overdamped anharmonic junction with arbitrary temperature bias is obtained. It is found that the thermal conductance can be expressed in terms of temperature dependent effective force constant. The role of anharmonicity is identified. We also give the general formula for the second cumulant of heat in steady state, as well as the average geometric heat flux when two temperatures are modulated adiabatically. We present an anharmonic example for which all cumulants for heat can be obtained exactly. For a bounded single oscillator model with mass we found that the cumulants are independent of the nonlinear potential.

cond-mat.stat-mech↗

arXiv2012

Role of the on-site pinning potential in establishing quasi-steady-state conditions of heat transport in finite quantum systems

We study the transport of energy in a finite linear harmonic chain by solving the Heisenberg equation of motion, as well as by using nonequilibrium Green's functions to verify our results. The initial state of the system consists of two separate and finite linear chains that are in their respective equilibriums at different temperatures. The chains are then abruptly attached to form a composite chain. The time evolution of the current from just after switch-on to the transient regime and then to later times is determined numerically. We expect the current to approach a steady-state value at later times. Surprisingly, this is possible only if a nonzero quadratic on-site pinning potential is applied to each particle in the chain. If there is no on-site potential a recurrent phenomenon appears when the time scale is longer than the traveling time of sound to make a round trip from the midpoint to a chain edge and then back. Analytic expressions for the transient and steady-state currents are derived to further elucidate the role of the on-site potential.

cond-mat.stat-mech↗

arXiv2012

Cumulant generating function formula of heat transfer in ballistic system with lead-lead coupling

Based on two-time observation protocol, we consider heat transfer in a given time interval $t_{M}$ in lead-junction-lead system taking coupling between the leads into account. In view of the two-time observation, consistency conditions are carefully verified in our specific family of quantum histories. Furthermore, its implication is briefly explored. Then using nonequilibrium Green's function (NEGF) method, we obtain an exact formula for the cumulant generating function for heat transfer between the two leads valid in both transient and steady-state regimes. Also, a compact formula for the cumulant generating function in the long-time limit is derived, for which the Gallavotti-Cohen (GC) fluctuation symmetry is explicitly verified. In addition, a brief discussion of Di Ventra's trick regarding whether the effect of the repartitioning procedure of the total Hamiltonian on nonequilibium steady-state current fluctuation exists is given. All kinds of properties of nonequilibrium current fluctuations such as the fluctuation theorem in different time regimes could be readily given according to these exact formulas.

cond-mat.stat-mech↗

arXiv2012

A generalized Caroli formula for transmission coefficient with lead-lead coupling

We present a generalized transmission coefficient formula for the lead-junction-lead system, in which interaction between the leads has been taken into account. Based on it the Caroli formula could be easily recovered and a transmission coefficient formula for interface problem in the ballistic system can be obtained. The condition of validity for the formula is carefully explored. We mainly focus on heat transport. However, the corresponding electrical transport could be similarly dealt with. Also, an illustrative example is given to clarify the precise meaning of the quantities used in the formula, such as the concept of the reduced interacting matrix in different situations. In addition, an explicit transmission coefficient formula for a general one-dimensional interface setup is obtained based on the derived interface formula.

cond-mat.mes-hall↗

arXiv2012

Steady state thermal transport in anharmonic systems: Application to molecular junctions

We develop a general theory for thermal transport in anharmonic systems under the weak system-bath coupling approximation similar to the quantum master equation formalism. A current operator is derived, which is valid not only in the steady state, but in the transient regime as well. Here we focus on the effects of anharmonicity on the steady-state thermal conductance of a mono and diatomic molecular junctions. We also study molecules being confined in a double-well potential. We find that when the molecules have a non-linear on-site potential the low-temperature thermal conductance is dramatically affected by the strength of non-linearity, whereas for the diatomic molecule connected by an anharmonic spring the strength of anharmonicity plays almost no role in the low-temperature regime. In case of the molecules confined in a double-well potential we find that the height of the barrier greatly affects the thermal conductance; once the molecules can feel the effect of the barrier we observe negative differential thermal conductance at both high and low temperatures.

cond-mat.mes-hall↗

arXiv2012

Generalized Gibbs state with modified Redfield solution: Exact agreement up to second order

A novel scheme for the steady state solution of the standard Redfield quantum master equation is developed which yields agreement with the exact result for the corresponding reduced density matrix up to second order in the system-bath coupling strength. We achieve this objective by use of an analytic continuation of the off-diagonal matrix elements of the Redfield solution towards its diagonal limit. Notably, our scheme does not require the provision of yet higher order relaxation tensors. Testing this modified method for a heat bath consisting of a collection of harmonic oscillators we assess that the system relaxes towards its correct coupling-dependent, generalized quantum Gibbs state in second order. We numerically compare our formulation for a damped quantum harmonic system with the nonequilibrium Green's function formalism: we find good agreement at low temperatures for coupling strengths that are even larger than expected from the very regime of validity of the second-order Redfield quantum master equation. Yet another advantage of our method is that it markedly reduces the numerical complexity of the problem; thus allowing to study efficiently large-sized \emph{system} Hilbert spaces.

cond-mat.stat-mech↗

arXiv2012

Tuning thermal transport in nanotubes with topological defects

Using the atomistic nonequilibrium Green's function, we find that thermal conductance of carbon nanotubes with presence of topological lattice imperfects is remarkably reduced, due to the strong Rayleigh scattering of high-frequency phonons. Phonon transmission across multiple defects behaves as a cascade scattering based with the random phase approximation. We elucidate that phonon scattering by structural defects is related to the spatial fluctuations of local vibrational density of states (LVDOS). An effective method of tuning thermal transport in low-dimensional systems through the modulation of LVDOS has been proposed. Our findings provide insights into experimentally controlling thermal transport in nanoscale devices

cond-mat.mes-hall↗

arXiv2012

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 in a few nanometer width already exhibits an approximate low-temperature dependence of $T^{1.5}$, like that of 2D graphene sheet which is attributed to the quadratic nature of 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, respectively. Our findings clarify the issue of low-temperature dependence of thermal transport in GNRs and suggest a calibration range of thermal conductivity for experimental measurements in graphene-based materials.

cond-mat.mes-hall↗

arXiv2012

Why edge effects are important on the intrinsic loss mechanisms of graphene nanoresonators?

Molecular dynamics simulations are performed to investigate edge effects on the quality factor of graphene nanoresonators with different edge configurations and of various sizes. If the periodic boundary condition is applied, very high quality factors ($3\times10^{5}$) are obtained for all kinds of graphene nanoresonators. However, if the free boundary condition is applied, quality factors will be greatly reduced by two effects resulting from free edges: the imaginary edge vibration effect and the artificial effect. Imaginary edge vibrations will flip between a pair of doubly degenerate warping states during the mechanical oscillation of nanoresonators. The flipping process breaks the coherence of the mechanical oscillation of the nanoresonator, which is the dominant mechanism for extremely low quality factors. There is an artificial effect if the mechanical oscillation of the graphene nanoresonator is actuated according to an artificial vibration (non-natural vibration of the system), which slightly reduce the quality factor. The artificial effect can be eliminated by actuating the mechanical oscillation according to a natural vibration of the nanoresonator. Our simulations provide an explanation for the recent experiment, where the measured quality factor is low and varies between identical samples with free edges.

cond-mat.mtrl-sci↗

arXiv2011

Counting statistics of heat transport in harmonic junctions -- transient and steady states

We study the statistics of heat transferred in a given time interval $t_M$, through a finite harmonic chain, called the center $(C)$, which is connected with two heat baths, the left $(L)$ and the right $(R)$, that are maintained at two different temperatures. The center atoms are driven by an external time-dependent force. We calculate the cumulant generating function (CGF) for the heat transferred out of the left lead, $Q_L$, based on two-time measurement concept and using nonequilibrium Green's function (NEGF) method. The CGF can be concisely expressed in terms of Green's functions of the center and an argument-shifted self-energy of the lead. The expression of CGF is valid in both transient and steady state regimes. We consider three different initial conditions for the density operator and show numerically, for one-dimensional (1D) linear chains, how transient behavior differs from each other but finally approaches the same steady state, independent of the initial distributions. We also derive the CGF for the joint probability distribution $P(Q_L,Q_R)$, and discuss the correlations between $Q_L$ and $Q_R$. We calculate the total entropy flow to the reservoirs. In the steady state we explicitly show that the CGF obeys steady state fluctuation theorem (SSFT). Classical results are obtained by taking $\hbar \to 0$. The method is also applied to the counting of the electron number and electron energy, for which the associated self-energy is obtained from the usual lead self-energy by multiplying a phase or shifting the contour time, respectively.

cond-mat.stat-mech↗

arXiv2011

Joule heating and thermoelectric properties in short single-walled carbon nanotubes: electron-phonon interaction effect

The electron-phonon interaction (EPI) effect in single-walled carbon nanotube is investigated by the nonequilibrium Green's function approach within the Born approximation. Special attention is paid to the EPI induced Joule heating phenomenon and the thermoelectric properties in both metallic armchair (10, 10) tube and semiconductor zigzag (10, 0) tube. For Joule heat in the metallic (10, 10) tube, the theoretical results for the breakdown bias voltage is quite comparable with the experimental value. It is found that the Joule heat can be greatly enhanced by increasing the chemical potential, while the role of the temperature is not so important for Joule heat. In zigzag (10, 0) tube, the Joule heat is smaller than the armchair tube, resulting from nonzero band gap in the electron band structure. For the electronic conductance $G_{e}$ and electron thermal conductance $σ_{el}$, the EPI has important effect at higher temperature or higher chemical potential. Compared with ballistic transport, there is an opposite tendency for $G_{e}$ to decrease with increasing temperature after EPI is considered. This is due to the dominant effect of the electron phonon scattering mechanism in the electron transport in this situation. There is an interesting `electron-drag' phenomenon for the phonon thermal conductance in case of low temperature and high chemical potential, where phonons are dragged by electrons from low temperature region into high temperature region through EPI effect.

cond-mat.mtrl-sci↗

arXiv2011

Graphene-based tortional resonator from molecular dynamics simulation

Molecular dynamics simulations are performed to study graphene-based torsional mechanical resonators. The quality factor is calculated by $Q_{F}=ωτ/2π$, where the frequency $ω$ and life time $τ$ are obtained from the correlation function of the normal mode coordinate. Our simulations reveal the radius-dependence of the quality factor as $Q_{F}=2628/(22R^{-1}+0.004R^{2})$, which yields a maximum value at some proper radius $R$. This maximum point is due to the strong boundary effect in the torsional resonator, as disclosed by the temperature distribution in the resonator. Resulting from the same boundary effect, the quality factor shows a power law temperature-dependence with power factors bellow 1.0. The theoretical results supply some valuable information for the manipulation of the quality factor in future experimental devices based on the torsional mechanical resonator.

cond-mat.mtrl-sci↗

arXiv2011

Heat generation and transport due to time-dependent forces

We study heat transport for solids in the presence of arbitrary time-dependent force. Using nonequilibrium Green's function (NEGF) approach we present an exact analytical expression of current for the linear system. We found that the heat current can be expressed in terms of the displacement of the atoms in the center and the self energy of the baths. We carry out the calculation for the oscillatory driven force and study the steady state properties for one-dimensional linear chain and two-dimensional square lattice. We found that the heat current is related to the density of states of the system and is independent of the bath temperature in ballistic transport. The baths absorb energy only when their intrinsic frquency resonates with the applied frequency We also generalize the problem for multiple heat baths with different temperatures. We also discuss the effect due to nonlinear interactions in the center.

cond-mat.stat-mech↗

arXiv2011

Bright and dark modes induced by graphene bubbles

Through a lattice dynamics analysis, it is revealed that the bubble plays a role of energy shield in the graphene, which helps to split the normal modes into two categories of distinct topological nature, namely the bright and dark modes. The topological invariants, Euler characteristic, of the bright and dark modes are 1 and 0, respectively. For bright modes, the energy is confined inside the bubble, so this type of modes are sensitive to the shape of the bubble; while opposite phenomenon is observed for the dark modes. The different behavior from these two types of normal modes is examined and verified in the process of phonon thermal transport. The bright and dark modes are expected to be distinguished in experiment with existing scanning force microscope techniques, and they should play significant roles in many other physical processes.

cond-mat.mtrl-sci↗

arXiv2011

Phonon modes at finite temperature in graphene and single-walled carbon nanotubes

The phonon modes at finite temperature in graphene and single-walled carbon nanotubes (SWCNT) are investigated by the mode projection technique combined with molecular dynamics simulation. It is found that the quadratic phonon spectrum of the flexural mode in graphene is renormalized into linear at finite temperature by the phonon-phonon scattering. Possible influence of this renormalization on the electron-phonon interaction and phonon thermal transport is analyzed. For the SWCNT, however the quadratic property of the phonon spectrum for the flexural mode can survive at finite temperature under protection of the two-fold degeneracy of the flexural mode in SWCNT due to its quasi-one-dimensional structure. The frequency and life time of optical phonon modes are also studied at different temperatures. In particular, the life time of the in-plane optical phonons in graphene and the axial optical phonon in SWCNT can be described by an uniform formula $τ(T)=560/T$, which coincides with the experimental results.

cond-mat.mtrl-sci↗

arXiv2011

Thermal expansion in multiple layers of graphene

In this file, we apply the nonequilibrium Green's function method to calculate the coefficient of thermal expansion (CTE) in multiple layers of graphene. We focus on the effect from different layer number $N$. Our main prediction is that: the increase of $N$ can either enhance or weaken CTE, depending on the strength of the substrate interaction $γ$. If $γ< ε$, where $ε$ is the inter-layer interaction, the CTE will increase with increasing $N$. Otherwise, if $γ> ε$, CTE will decrease with increasing $N$.

cond-mat.mtrl-sci↗