Phonon size effects induce ballistic transport in nanomaterials, challenging Fourier's law. Nondiffusive heat transport is captured by the Peierls-Boltzmann transport equation (BTE), commonly solved under the relaxation time approximation (RTA), which assumes diagonal scattering operator. Although the RTA is accurate for many relevant materials over a wide range of temperatures, such as silicon, it underpredicts thermal transport in most two-dimensional (2D) systems, notoriously graphene. Here we present a formalism, based on the BTE with the full collision matrix, for computing the effective thermal conductivity of arbitrarily patterned 2D materials. We apply our approach to porous graphene and find strong heat transport suppression in configurations with feature sizes of the order of micrometers; this result, which is rooted in the large generalized phonon MFPs in graphene, corroborates the possibility of strong thermal transport tunability by relatively coarse patterning. Lastly, we present a promising material configuration with low thermal conductivity. Our method enables the parameter-free design of 2D materials for thermoelectric and thermal routing applications.
Strong coupling between two quanta of different excitations leads to the formation of a hybridized state which paves a way for exploiting new degrees of freedom to control phenomena with high efficiency and precision. A magnon polaron is the hybridized state of a phonon and a magnon, the elementary quanta of lattice vibrations and spin waves in a magnetically-ordered material. A magnon polaron can be formed at the intersection of the magnon and phonon dispersions, where their frequencies coincide. The observation of magnon polarons in the time domain has remained extremely challenging because …
At micro- to nano-scales, classical size effects in heat conduction play an important role in suppressing the thermal transport process. Such effects occur when the characteristic lengths become commensurate to the mean free paths (MFPs) of heat carriers that are mainly phonons for nonmetallic crystals. Beyond existing experimental efforts on thin films using laser-induced thermal gratings, this work provides the complete theoretical analysis for a new approach to extract the effective phonon MFP distribution for the in-plane heat conduction within a thin film or flake-like sample. In this app…
Berry curvature (BC) governs topological phases of matter and generates anomalous transport. When a magnetic field is applied, phonons can acquire BC indirectly through spin-lattice coupling, leading to a linear phonon Hall effect. Here, we show that polar lattice distortion directly couples to a phonon BC dipole, which causes a switchable non-linear phonon Hall effect. In a SnS monolayer, the in-plane ferroelectricity induces a phonon BC and leads to the phononic version of the non-volatile BC memory effect. As a new type of ferroelectricity-phonon coupling, the phonon Rashba effect emerges a…
A Kubo formalism is used to calculate the electronic and optical conductivity of a graphene superlattice with Y-shaped kekulé bond texture, similar to that visualized in recent experiments. We show that new conduction channels between the valleys in graphene are opened by the kekulé distortion. This intervalley contribution to the electronic transport is not present in pristine graphene and here appears due to the folding of the Dirac cones $K$, $K'$ on top of each other. The contribution of intervalley transport to the conductivity of graphene, as well as the modification of the intravalley t…
We use ultrafast x-ray diffraction to quantify the transport of energy in laser-excited nanoscale Au/Ni bilayers. Electron transport and efficient electron-phonon coupling in Ni convert the laser-deposited energy in the conduction electrons within a few picoseconds into a strong non-equilibrium between hot Ni and cold Au phonons at the bilayer interface. Modeling of the subsequent equilibration dynamics within various two-temperature models confirms that for ultrathin Au films the thermal transport is dominated by phonons instead of conduction electrons because of the weak electron-phonon coup…
As a critical way to modulate thermal transport in nanostructures, phonon resonance hybridization has become an issue of great concern in the field of phonon engineering. In this work, we optimized phonon transport across graphene nanoribbon and obtained minimized thermal conductance by means of designing pillared nanostructures based on resonance hybridization. Specifically, the optimization of thermal conductance was performed by the combination of atomic Green` s function and Bayesian optimization. Interestingly, it is found that thermal conductance decreases non-monotonically with the incr…
We reveal that phononic thermal transport in graphene is not immune to grain boundaries (GBs) aligned along the direction of the temperature gradient. Non-equilibrium molecular dynamics simulations uncover a large reduction in the phononic thermal conductivity ($κ_p$) along linear ultra-narrow GBs comprising periodically-repeating pentagon-heptagon dislocations. Green's function calculations and spectral energy density analysis indicate that $κ_p$ is the complex manifestation of the periodic strain field, which behaves as a reflective diffraction grating with both diffuse and specular phonon r…
Anisotropic phonon transport along different lattice directions of two-dimensional (2D) materials has been observed, however, the effect decreases with increasing the thickness beyond a few atomic layers. Here we establish a novel mechanism to induce anisotropic phonon transport in quasi-2D materials with isotropic symmetry. The phonon propagation is guided by resonance hybridization with surface nanostructures. We demonstrate that the thermal conductivity of 3 nm-thick silicon membrane with surface nanofins is greater by $\sim50\%$ parallel to the fins than that perpendicular to the fins.
Transverse acoustic waves in an inhomogeneous medium are analogues to electromagnetic waves and will exhibit topological behavior due to the Berry gauge potential in the momentum space due to inhomogeneity. The inhomogeneous (or gradient) medium can be created using an applied strain gradient in a semiconductor thin film (silicon) since the phonon frequency and dispersion will be a function of the local strain along the strain gradient direction. As a consequence, topological phonon mediated spin and heat transport can be engineered in the semiconductor thin films. Here, we present evidence of…
Heat transfer between two surfaces separated by a nanometre gap is important for a number of applications ranging from spaced head disk systems, scanning thermal microscopy and thermal transport in aerogels. At these separation distances, near field radiative heat transfer competes with heat transfer mediated by phonons. Here we quantify the contribution of phonon assisted heat transfer between apolar solids using lattice dynamics combined with ab-initio calculations. We clearly demonstrate that phonons dominate heat transfer for subnanometre gaps. Strikingly, we conclude that even in the situ…
We study phonons generated by current in a Pt nanowire, by measuring resistance of another nanowire separated from the first one by an insulating spacer. For thin spacers, the resistance varies almost linearly with current at cryogenic temperatures, while an additional quadratic contribution emerges for thicker spacers. These observations suggest a non-thermal distribution of current-generated phonons that relax via strongly nonlinear dynamical processes rather than few-phonon scattering. Our results provide insight into the nonequilibrium phonon dynamics at nanoscale, which may facilitate eff…
Hydrodynamic phonon transport was recently predicted as an important regime for phonon transport in graphitic materials. Many of past studies on hydrodynamic phonon transport have focused on the cases where the hydrodynamic regime predominates over other regimes such that hydrodynamic features can be clearly observed. However, this often requires stringent conditions of temperature and sample size. In many cases, a single regime does not dominate other regimes, but all three regimes - ballistic, hydrodynamic, and diffusive regimes - exist to some extent. Here we assess the extent of three regi…
Towards intrinsic phonon transport in single-layer MoS$_2$
MoS $_2$的本征晶格热导率是设计MoS $_2$基纳米电子器件的一个重要方面。我们利用第一性原理计算研究了MoS $_2$的晶格动力学性质。利用声子的玻尔兹曼输运方程计算了单层MoS $_2$的本征热导率。得到的热导率与测量值吻合良好。计算了声学声子和光学声子对晶格热导率的贡献。研究了热导率的尺寸依赖性。
A temperature-dependent approach involving Green-Kubo equilibrium atomic and spin dynamics (GKEASD) is reported to assess phonon and magnon thermal transport processes accounting for phonon-magnon interactions. Using body-center cubic (BCC) iron as a case study, GKEASD successfully reproduces its characteristic temperature-dependent spiral and lattice thermal conductivities. The non-electronic thermal conductivity, i.e., the sum of phonon and magnon thermal conductivities, calculated using GKEASD for BCC Fe agrees well with experimental measurements. Spectral energy analysis reveals that high-…
Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we present a theoretical and computational framework to describe phonon transport with position, momentum and scattering event resolution. We apply this framework to a single material spherical nanoparticle for which the multidimensional resolution offers insight into the physical origin of phonon thermalization, and length-scale dependent anisotropy of steady-…
The hydrodynamic phonon transport was studied several decades ago for verifying the quantum theory of lattice thermal transport. Recent prediction of significant hydrodynamic phonon transport in graphitic materials shows its practical importance for high thermal conductivity materials and brought a renewed attention. As the study on this topic has been inactive to some extent for several decades, we aim at providing a brief overview of the past studies as well as very recent studies. The topics we discuss in this chapter include the collective motion of phonons, several approaches to solve the…
Understanding phonon transport across heterojunctions is important to achieve a wide range of thermal transport properties. Using the McKelvey-Shockley flux method with first-principles modeling, we theoretically investigate the phonon transport properties of a Si-Ge interface with a focus on the role of inelastic bulk phonon processes. We observe significant inelastic scattering near the interface that redistributes the heat among the phonons as a result of non-equilibrium effects driven by the junction. These effects are most pronounced when the length of the junction is comparable to the av…
The effect of electron-phonon coupling on transport through a pair of strongly correlated quantum dots embedded in the Aharonov-Bohm ring is considered in the mean field slave boson Kotliar-Ruckenstein approach. It is shown that coupling with phonons opens transport gap in the region of double occupancy. Low-bias conductance and thermopower provide information on electron-phonon coupling strength.
We investigate phonon spin transport in an insulating ferromagnet-nonmagnet-ferromagnet heterostructure. We show that the magnetoelastic interaction between the spins and the phonons leads to nonlocal spin transfer between the magnets. This transfer is mediated by a local phonon spin current and accompanied by a phonon spin accumulation. The spin conductance depends nontrivially on the system size, and decays over millimeter length scales for realistic material parameters, far exceeding the decay lengths of magnonic spin currents.
Phonon transport across a vacuum gap separating intrinsic silicon crystals is predicted via the atomistic Green's function method combined with first-principles calculations of all interatomic force constants. The overlap of electron wave functions in the vacuum gap generates weak covalent interaction between the silicon surfaces, thus creating a pathway for phonons. Phonon transport, dominated by acoustic modes, exceeds near-field radiation for vacuum gaps smaller than ~ 1 nm. The first-principles-based approach proposed in this work is critical to accurately quantify the contribution of phon…
