We report on a study of magnetotransport in LaAlO3/SrTiO3 interfaces characterized by mobilities of the order of several thousands cm$^{2}$/Vs. We observe Shubnikov-de Haas oscillations that indicate a two-dimensional character of the Fermi surface. The frequency of the oscillations signals a multiple sub-bands occupation in the quantum well or a multiple valley configuration. From the temperature dependence of the oscillation amplitude we extract an effective carrier mass $m^{*}\simeq1.45$\,$m_{e}$. An electric field applied in the back-gate geometry increases the mobility, the carrier density and the oscillation frequency.
Existing theoretical models of the interfacial thermal conductance, i.e., Kapitza conductance, of insulating solid-fluid interfaces only consider bulk properties, e.g., acoustic mismatch model and diffuse mismatch model. In this work, we propose a classical lattice dynamical model calculation of the Kapitza conductance, thereby incorporating interfacial structural details. In our model, we assume that heat is mostly carried by phonons in the solid, and that sound waves carry diffusive heat from the interface into the bulk of the liquid, where both longitudinal and transverse sound waves are co…
Even-Odd Oscillation in Conductance of Single-Row Sodium Nanowire
我们提出了一个第一性原理计算的电子传导性质的单排钠纳米线悬挂在半无限电极之间。纳米线的电导率约为1 G 0（=2e^2/h），并随着纳米线内原子数量的变化而以两原子周期振荡。此外，我们观察到束的高电子密度与两个原子长度的通道密度分布。电导振荡的周期和聚束的长度之间的关系进行了检查，通过使用简化的模型，并发现在很大程度上受无限长导线的特性。
A new formalism for extracting the modal contributions to thermal interface conductance with full inclusion of anharmonicity is presented. The results indicate that when two materials are joined a new set of vibrational modes are required to correctly describe the transport across the interface. Among these new modes, certain classifications emerge, as most modes extend at least partially into the other material. Localized interfacial modes are also present and exhibit the highest conductance contributions on a per mode basis. The results also show that anharmonicity enables inelastic scatteri…
We present the results of classical molecular dynamics simulations to assess the relative contributions to interfacial thermal conductance from inelastic phonon processes at the interface and in the adjacent bulk materials. The simulated system is the prototypical interface between argon and "heavy argon" crystals, which enables comparison with many past computational studies. We run simulations interchanging the Lennard-Jones potential with its harmonic approximation to test the effect of anharmonicity on conductance. The results confirm that the presence of anharmonicity is correlated with i…
The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The results show the size dependence of the interface thermal conductance and the effect of electron-phonon coupling on the interface thermal conductance. To understand the mechanism of interface resistance, the vibration power spectra are calculated. We find that the atomic level disorder near the interface is an important aspect of interfacial phonon transport, which l…
Diameter-dependent conductance oscillations in carbon nanotubes upon torsion
我们将机电测量与{ \em ab initio}密度泛函计算相结合，解决了多壁碳纳米管中扭转诱导电导振荡起源的争议。根据我们的观察，振荡周期与纳米管直径的平方成反比，正如相同直径的单壁纳米管所预期的那样。这是支持我们的理论发现，微分扭转有效地使费米能级附近的多壁纳米管的壁，并移动量子线的费米动量。我们排除了与壁之间的配准变化相关的另一种解释，因为它会导致振荡周期的不同直径依赖性。
The existed theories and methods for calculating interfacial thermal conductance of solid-solid interface lead to diverse values that deviate from experimental measurements. In this letter, We propose a model to estimate the ITC at high temperature without comprehensive calculations, where the interface between two dissimilar solids can be treated as an amorphous thin layer and the coordination number density across interface becomes a key parameter. Our model predicts that the ITCs of various interfaces at 300K are in a narrow range: 10$^{7}$W m$^{-2}$K$^{-1}$ $\sim $10$^{9}$ W m$^{-2}$ K$^{-…
We have examined the interfacial thermal conductance σint of single and multi-layer graphene samples prepared on fused SiO2 substrates by mechanical exfoliation of graphite. By using an ultrafast optical pump pulse and monitoring the transient reflectivity on the picosecond time scale, we obtained an average σint of 5,000 W/cm2K for the graphene-SiO2 system. We observed significant variation in σint between individual samples, but found no systematic dependence on the thickness of the graphene layers.
The role of interfacial nonidealities and disorder on thermal transport across interfaces is traditionally assumed to add resistance to heat transfer, decreasing the thermal boundary conductance (TBC).$^1$ However, recent computational works have suggested that interfacial defects can enhance this thermal boundary conductance through emergence of unique vibrations that are intrinsic to the material interface and defect atoms,$^{2-6}$ a finding that contradicts traditional theory and conventional understanding. By manipulating the local heat flux of atomic vibrations that comprise these interfa…
We report the first ever accurate theoretical prediction of thermal conductance of any material interface. Thermal interfacial conductance of aluminum (Al)-sapphire (α-Al2O3) interface along crystal directions (111) Al || (0001) Al2O3 for temperature ranging from 50-500 K is calculated using two fundamentally different methods: interfacial conductance modal analysis (ICMA) and atomistic green function (AGF). While AGF overpredicts interfacial conductance, both the quantitative and qualitative predictions of ICMA are exceptional when compared with the time-domain thermoreflectance (TDTR) experi…
The rich interaction phenomena at antiferromagnet (AFM)/ ferromagnet (FM) interfaces are key ingredients in AFM spintronics, where many underlying mechanisms remain unclear. Here we report a correlation observed between interfacial Dzyaloshinskii-Moriya interaction (DMI) Ds and effective spin mixing conductance g at IrMn/CoFeB interface. Both Ds and g are quantitatively determined with Brillouin light scattering measurements, and increase with IrMn thickness in the range of 2.5~7.5 nm. Such correlation likely originates from the AFM-states-mediated spin-flip transitions in FM, which promote bo…
A platinum (Pt)/yttrium iron garnet (YIG) bilayer system with a well-controlled interface has been developed; spin mixing conductance at the Pt/YIG interface has been studied. Crystal perfection at the interface is experimentally demonstrated to contribute to large spin mixing conductance. The spin mixing conductance is obtained to be $1.3\times10^{18} \rm{m^{-2}}$ at the well-controlled Pt/YIG interface, which is close to a theoretical prediction.
We theoretically investigate the thermal boundary conductance across metal-nonmetal interfaces in the presence of the electron-phonon coupling not only in metal but also at interface. The thermal energy can be transferred from metal to nonmetal via three channels: (1) the phonon-phonon coupling at interface; (2) the electron-phonon coupling at interface; and (3) the electron-phonon coupling within metal and then subsequently the phonon-phonon coupling at interface. We find that these three channels can be described by an equivalent series-parallel thermal resistor network, based on which we de…
In this article, we report the influence of the interfacial roughness on the thermal boundary conductance between two crystals, using molecular dynamics. We show evidence of a transition between two regimes, depending on the interfacial roughness: when the roughness is small, the boundary conductance is constant taking values close to the conductance of the corresponding planar interface. When the roughness is larger, the conductance becomes larger than the planar interface conductance, and the relative increase is found to be close to the increase of the interfacial area. The cross-plane cond…
Improving interfacial thermal transport is crucial for heat dissipation in systems. Here, we design a strategy by utilizing the water adsorption-desorption process in porous metal-organic frameworks (MOFs) to tune the interfacial heat transfer. We observe a changeable thermal conductance across the solid/porous MOFs interfaces owing to the dense water channel formed by the adsorbed water molecules in MOFs. Our experimental results show that the interfacial thermal conductance of Au/Cu3(BTC)2 heterointerfaces is increased up to 7.1 folds by this strategy, where Cu3(BTC)2 is a typical porous MOF…
We point out that the effective channel for the interfacial thermal conductance, the inverse of Kapitza resistance, of metal-insulator/semiconductor interfaces is governed by the electron-phonon interaction mediated by the surface states allowed in a thin region near the interface. Our detailed calculations demonstrate that the interfacial thermal conductance across Pb/Pt/Al/Au-diamond interfaces are only slightly different among these metals, and reproduce well the experimental results of the interfacial thermal conductance across metal-diamond interfaces observed by Stoner et al. [Phys. Rev.…
The Semi-Empirical TB model developed in part I is applied to metal transport problems of current relevance in part II. A systematic study of the effect of quantum confinement, transport orientation and homogeneous strain on electronic transport properties of Cu is carried out. It is found that quantum confinement from bulk to nanowire boundary conditions leads to significant anisotropy in conductance of Cu along different transport orientations. Compressive homogeneous strain is found to reduce resistivity by increasing the density of conducting modes in Cu. The [110] transport orientation in…
Stability of conductance oscillations in monatomic sodium wires
我们研究了单原子钠线电导振荡随结构变化的稳定性。用自洽密度泛函理论计算了悬在两个钠电极之间的钠丝的几何结构、电子结构和电子势。在Landauer-Bütttiker形式主义的框架内，使用最近在实空间有限差分方案中制定的模式匹配技术[Phys. Rev. B \textbf{70}，195402（2004）]计算电导。我们发现一个规则的奇偶电导振荡作为导线长度的函数，其中包含奇数个原子的导线具有接近量子单元$G_0=e^2/π\hbar$的电导，偶数的导线具有较低的电导。奇数导线的电导相对于导线中或导线与电极之间的接触中的几何变化是稳定的;偶数导线的电导更敏感。几何形状的变化会影响线谐振的间距和宽度。在奇数编号的导线的情况下，传输是谐振的，并且几乎不受谐振形状的影响，而对于偶数编号的导线，传输是非谐振的，并且对谐振形状敏感。预测电导振荡的幅度需要基于导线和引线的实际结构的第一性原理计算。一个简单的紧束缚模型来澄清这些结果。
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically important titanium silicide (metal) - silicon (semiconductor) interface to estimate the Schottky barrier height (SBH), and the strength of electron-phonon and phonon-phonon heat transfer across the interface. The electron and phonon dispersion relations of TiSi$_2$ with C49 structure and the TiSi$_2$-Si interface are obtained using first-principles calculations wi…
Large assemblies of self-organized aluminum nanoclusters embedded in an oxide layer are formed on graphene templates and used to build tunnel-junction devices. Unexpectedly, single-electron-transport behavior with well-defined Coulomb oscillations is observed for a record junction area containing millions of metal islands. Such hybrid materials offer new prospects for single-electron electronics.
Phonon transmission across an interface between dissimilar crystalline solids is calculated using molecular dynamics simulations with interatomic force constants obtained from first principles. The results reveal that although inelastic phonon-transmission right at the geometrical interface can become far greater than the elastic one, its contribution to thermal boundary conductance (TBC) is severely limited by the transition regions, where local phonon states at the interface recover the bulk state over a finite thickness. This suggests TBC can be increased by enhancing phonon equilibration i…
Energy dispersion and spin orientation of the protected states at interfaces between topological insulators (TIs) and non-topological materials depend on the charge redistribution, strain, and atomic displacement at the interface. Knowledge of these properties is essential for applications of topological compounds, but direct access to them in the interface geometry is difficult. We show that conductance of a gated double junction at the surface of a topological insulator exhibits oscillations and a quasi-linear decay as a function of gate voltage in different regimes. These give the values fo…
We have deposited polycrystalline Re doped $(Fe_{65}Co_{35})_{100-x}Re_{x}$ (0 $\leq$ x $\leq$ 12.6 at\%) thin films grown under identical conditions and sandwiched between thin layers of Ru in order to study the phenomenon of spin pumping as a function of Re concentration. In-plane and out-of-plane ferromagnetic resonance spectroscopy results show an enhancement of the Gilbert damping with an increase in Re doping. We found evidence of an increase in the real part of effective spin mixing conductance [Re($g^{\uparrow\downarrow}_{eff}$)] with the increase in Re doping of 6.6 at\%, while a decr…
Thermal conductance across bonded SiOx-SiOx interfaces in hybrid bonding process
School of Integrated Circuits and Beijing Advanced Innovation Center for Integrated Circuits, Peking University（北京大学集成电路学院与北京集成电路先进创新中心）；School of Integrated Circuits, Southeast University（东南大学集成电路学院）
Ferromagnetic materials exhibiting low magnetic damping ($α$) and moderately high saturation magnetization are required from the viewpoints of generation, transmission and detection of spin wave. Since spin-to-charge conversion efficiency is another important parameter, high spin mixing conductance ($g_{r}^{\uparrow \downarrow}$) is the key for efficient spin-to-charge conversion. Full Heusler alloys e.g. $Co_2Fe_{0.4}Mn_{0.6}Si$ (CFMS), which are predicted to be 100$\%$ spin polarized, possess low $α$. However, the $g_{r}^{\uparrow \downarrow}$ at the interface between CFMS and a paramagnet h…
The effective spin-mixing conductance (G_eff) of a heavy metal/ferromagnet (HM/FM) interface characterizes the efficiency of the interfacial spin transport.Accurately determining G_eff is critical to the quantitative understanding of measurements of direct and inverse spin Hall effects. G_eff is typically ascertained from the inverse dependence of magnetic damping on the FM thickness under the assumption that spin pumping is the dominant mechanism affecting this dependence.Here we report that, this assumption fails badly in many in-plane magnetized prototypical HM/FM systems in the nm-scale th…
We investigated the magnetotransport properties of mesoscopic platinum nanostructures (wires and rings) with sub-100 nm lateral dimensions at very low temperatures. Despite the strong spin-orbit interaction in platinum, oscillations of the conductance as a function of the external magnetic field due to quantum interference effects was found to appear. The oscillation was decomposed into Aharonov-Bohm periodic oscillations and aperiodic fluctuations of the conductance due to a magnetic flux piercing the loop of the ring and the metal wires forming the nanostructures, respectively. We also inves…
We report the electrical top-gating of a 2-dimensional electron gas (2DEG) formed at the LaAlO3/SrTiO3 interface, using electron-beam evaporated Au gate electrodes. In these structures, epitaxial LaAlO3 films grown by pulsed laser deposition induce the 2DEGs at the interface to the SrTiO3 substrate and simultaneously act as the gate dielectric. The structured top-gates enable a local tuning and complete on/off switching of the interface (super)-conductivity, while maintaining the usual, intrinsic characteristics for these LaAlO3/SrTiO3 interfaces when no gate voltage is applied.
Understanding the physical processes involved in interfacial heat transfer is critical for the interpretation of thermometric measurements and the optimization of heat dissipation in nanoelectronic devices that are based on transition metal dichalcogenide (TMD) semiconductors. We model the phononic and electronic contributions to the thermal boundary conductance (TBC) variability for the MoS$_{2}$-SiO$_{2}$ and WS$_{2}$-SiO$_{2}$ interface. A phenomenological theory to model diffuse phonon transport at disordered interfaces is introduced and yields $G$=13.5 and 12.4 MW/K/m$^{2}$ at 300 K for t…
Understanding the properties of electronic transport across metal-molecule interfaces is of central importance for controlling a large variety of molecular-based devices such as organic light emitting diodes, nanoscale organic spin-valves and single-molecule switches. One of the primary experimental methods to reveal the mechanisms behind electronic transport through metal-molecule interfaces is the study of conductance as a function of molecule length in molecular junctions. Previous studies focused on transport governed either by tunneling or hopping, both at low conductance. However, the up…
Detailed understanding of vibrational heat transfer mechanisms between solids is essential for the efficient thermal engineering and control of nanomaterials. We investigate the frequency dependence of anharmonic scattering and interfacial thermal conduction between two acoustically mismatched solids in planar contact by calculating the spectral decomposition of the heat current flowing through an interface between two materials. The calculations are based on analyzing the correlations of atomic vibrations using the data extracted from non-equilibrium molecular dynamics simulations. Inelastic …
Interfaces dominate heat conduction in nanostructured systems, and much work has focused on methods to enhance interfacial conduction. These approaches generally address planar interfaces, where the heat flux vector is everywhere normal to the interface. Here, we explore a nanostructured interface geometry that uses nonplanar features to enhance the effective interfacial conductance beyond what is possible with planar interfaces. This interface consists of interdigitating Al pillars embedded within SiO2 with characteristic feature size ranging from 100 nm to 800 nm. The total sidewall surface …
GaN-based HEMTs have the potential to be widely used in high-power and high-frequency electronics while their maximum output powers are limited by high channel temperature induced by near-junction Joule-heating, which degrades device performance and reliability. Increasing the TBC between GaN and SiC will aid in the heat dissipation of GaN-on-SiC power devices, taking advantage of the high thermal conductivity of the SiC substrate. However, a good understanding of the TBC of this technically important interface is still lacking due to the complicated nature of interfacial heat transport. In th…
We perform density functional theory plus dynamical mean field theory calculations to investi- gate internal charge transfer in an artificial superlattice composed of alternating layers of vanadate and manganite perovskite and Ruddlesden-Popper structure materials. We show that the elec- tronegativity difference between vanadium and manganese causes moderate charge transfer from VO2 to MnO2 layers in both perovskite and Ruddlesden-Popper based superlattices, leading to hole doping of the VO2 layer and electron doping of the MnO2 layer. Comparison of the perovskite and Ruddlesden-Popper based h…
We present experimental measurements of the thermal boundary conductance (TBC) from $77 - 500$ K across isolated heteroepitaxially grown ZnO films on GaN substrates. These data provide an assessment of the assumptions that drive the phonon gas model-based diffuse mismatch models (DMM) and atomistic Green's function (AGF) formalisms for predicting TBC. Our measurements, when compared to previous experimental data, suggest that the TBC can be influenced by long wavelength, zone center modes in a material on one side of the interface as opposed to the "vibrational mismatch" concept assumed in the…
We present theoretical model for the proximity effect in F-SFF-F structures (F is ferromagnet, S is superconductor) with non-collinear magnetizations vectors in the F-layers and with arbitrary magnitudes of exchange fields. Electrical conductance of these structures is analyzed within the Keldysh-Usadel formalism in the diffusive regime as a function of a misorientation angle between magnetizations of the F-layers and transparencies of SF and FF interfaces. We show that long-range triplet superconducting correlations manifest themselves either as a zero-bias peak in the case of perfect transpa…
We grow a tiled structure of insulating two dimensional LaAlO3/SrTiO3 interfaces composed of alternating one and three LaAlO3 unit cells. The boundary between two tiles is conducting. At low temperatures this conductance exhibits quantized steps as a function of gate voltage indicative of a one dimensional channel. The step size of half the quantum of conductance is an evidence for absence of spin degeneracy.
