我们已经测量到Ag/Al界面的电阻率，2AR（Ag/Al）（111）= 1.4 fOhm-m^2，这是完美界面时预测值的两倍，比2 ML 50%-50%合金的电阻率大50%，甚至比我们新预测的4 ML 50%-50%合金的电阻率1.3 fOhm^2还要大。如此大的2ARAg/Al（111）值证实了对界面无序的预测敏感性，并表明界面大于或等于4 ML厚。从我们的计算，预测的各向异性比，2AR（Ag/Al）（001）/2AR（Ag/Al）（111），大于4的一个完美的界面，应减少到小于2的4 ML界面，使其更难检测到任何这样的各向异性。
英文摘要：
We have measured an Ag/Al interface specific resistance, 2AR(Ag/Al)(111) = 1.4 fOhm-m^2, that is twice that predicted for a perfect interface, 50% larger than for a 2 ML 50%-50% alloy, and even larger than our newly predicted 1.3 fOhmm^2 for a 4 ML 50%-50% alloy. Such a large value of 2ARAg/Al(111) confirms a predicted sensitivity to interfacial disorder and suggests an interface greater than or equal to 4 ML thick. From our calculations, a predicted anisotropy ratio, 2AR(Ag/Al)(001)/2AR(Ag/Al)(111), of more then 4 for a perfect interface, should be reduced to less than 2 for a 4 ML interface, making it harder to detect any such anisotropy.
Using the first-principles non-equilibrium Green's function technique with supercell disorder averaging, we study the influence of interfacial intermixing on the spin-orbit torque in Co$\mid$Pt bilayers. Intermixing is modeled by inserting one or more monolayers of a disordered CoPt alloy between Co and Pt. Dampinglike torque is moderately enhanced by interfacial intermixing, while the fieldlike torque, which is small for abrupt interfaces, is strongly enhanced and becomes comparable to the dampinglike torque. The enhancement of the fieldlike torque is attributed to the interface between Co an…
We report that atomic-layer alloying (intermixing) at a Pt/Co interface can increase, by approximately 30%, rather than degrade the interfacial spin transparency, and thereby strengthen the efficiency of the dampinglike spin-orbit torque arising from the spin Hall effect in the Pt. At the same time, this interfacial alloying substantially reduces fieldlike spin-orbit torque. Insertion of an ultrathin magnetic alloy layer at heavy-metal/ferromagnet interfaces represents an effective approach for improving interfacial spin transparency that may enhance not only spin-orbit torques but also the sp…
Carbon nanotube (CNT) have been known to increase the heat transfer at the solid-liquid interfaces, but have a limitation due to the interfacial thermal resistance. Vibrational mismatch at the interface leads to this interfacial thermal resistance, which plays an important role in energy transfer at the boundary. Negligible work has been reported on the influence of CNT diameter on the resistance through the vibrational mismatch study. Molecular dynamics simulations have been performed to investigate the effect of CNT diameter on interfacial resistance between carbon nanotube (CNT) and water m…
We obtained an analytical solution for the effective thermal conductivity of composites composed of orthotropic matrices and spherical inhomogeneities with interfacial thermal resistance using a micromechanics-based homogenization. We derived the closed form of a modified Eshelby tensor as a function of the interfacial thermal resistance. We then predicted the heat flux of a single inhomogeneity in the infinite media based on the modified Eshelby tensor, which was validated against the numerical results obtained from the finite element analysis. Based on the modified Eshelby tensor and the loc…
Previous researches only reported very small interfacial thermal resistances at room temperature due to limitations in sample combinations and methods. Taking cognizance of the importance of mismatched phonon structures, we report values up to $2*10^{-4}W^{-1}m^{2}K$, thousand times larger than highest values reported to date. This enables substantial tuning of the thermal conductivity in composites, and does not constrain other characteristics. Our findings inspire new design strategies, for heat control in integrated circuits and thermoelectric composites, that harness thermal transport at i…
We obtained the analytical expression for the effective thermoelectric properties and dimensionless figure of merit of a composite with interfacial electrical and thermal resistances using a micromechanics-based homogenisation. For the first time, we derived the Eshelby tensor for a spherical inclusion as a function of the interfacial resistances and obtained the solutions of the effective Seebeck coefficient and the electrical and thermal conductivities of a composite, which were validated against finite-element analysis (FEA). Our analytical predictions well match the effective properties ob…
We study the perpendicular magnetic anisotropy (PMA) of the CoFeB/MgO bilayers in contact with W, Ta, IrMn and Ti which has been suggested as the spin-orbit-torque-related underlayers. The saturation magnetization of the CoFeB depends on the underlayer materials due to formation of a dead-layer, affecting PMA strength of each film. The x-ray magnetic circular dichroism measurement reveals that the interfacial intermixing suppresses only the perpendicular orbital moment of Fe, while the intermixing simultaneously suppresses both the perpendicular and in-plane orbital moments of Co.
This paper is concerned with the interfacial thermal resistance for polymer composites reinforced by various covalently functionalised graphene. By using molecular dynamics simulations, the obtained results show that the covalent functionalisation in graphene plays a significant role in reducing the graphene-paraffin interfacial thermal resistance. This reduction is dependent on the coverage and type of functional groups. Among the various functional groups, butyl is found to be the most effective in reducing the interfacial thermal resistance, followed by methyl, phenyl and formyl. The other …
Transitions between bulk and interfacial fracture in diamond/$c$BN heterostructures
Tel Aviv University（特拉维夫大学）；Xi’an Jiaotong University（西安交通大学）；Inner Mongolia University of Science and Technology（内蒙古科技大学）；China Academy of Engineering Physics（中国工程物理研究院）
Presented study concerns the possibility of evaluation of interfacial thermal resistance (ITR) between the constituents in composite materials with the use of flash technique. Two variants of such measurement are considered, the first of which is the measurement of ITR between two bonded layers of different materials which had been studied before by various researchers. The second tested measurement method is targeted at determination of ITR in particulate composites with low and moderate filler content based on their effective thermal conductivity. Method of such measurement is proposed and t…
Emergent behavior at complex oxide interfaces has driven much of the research in the oxide thin film community for the past twenty years. Interfaces have been engineered for potential applications in spintronics, topological quantum computing, and high-speed electronics in cases where the bulk materials would not exhibit the desired properties. Advances in thin film growth have made the synthesis of these interfaces possible, while surface characterization tools such as X-ray photoelectron spectroscopy have been critical to understanding surface and interfacial phenomena in these materials. In…
An attractive class of materials for photo(electro)chemical reactions are hybrids based on semiconducting metal oxides and nanocarbons (e.g. carbon nanotubes (CNT), graphene), where the nanocarbon acts as a highly-stable conductive scaffold onto which the nanostructured inorganic phase can be immobilised; an architecture that maximises surface area and minimises charge transport/transfer resistance. TiO$_{2}$/CNT photoanodes produced by atomic layer deposition on CNT fabrics are shown to be efficient for H$_{2}$ production ($0.07 μmol/min$ $H_{2}$ at $0.2V$ $vs Ag/AgCl$), nearly doubling the p…
The contact resistance between two dissimilar semiconductors is determined by the carrier transmission through their interface. Despite the ubiquitous presence of interfaces, quantitative simulation of charge transport across such interfaces is difficult, limiting the understanding of interfacial charge transport. This work employs Green's functions to study the charge transport across representative Si/Ge interfaces. For perfect interfaces, it is found that the transmittance is small and the contact resistance is high, not only because the mismatch of carrier pockets makes it hard to meet the…
Traditional models of interfacial phonon scattering, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), take into account the bulk properties of the material surrounding the interface, but not the atomic structure and properties of the interface itself. Here, we derive a theoretical formalism for the phonon scattering at a dislocation grid, or two interpenetrating orthogonal arrays of dislocations, as this is the most stable structure of both the symmetric twist boundary and semicoherent heterointerface. With this approach, we are able to separately examine the contr…
Contact resistance and interfacial engineering: Advances in high-performance 2D-TMD based devices
Shanghai University（上海大学）；Monash University（蒙纳士大学）；RMIT University（皇家墨尔本理工大学）；National University of Singapore（新加坡国立大学）；Queensland University of Technology（昆士兰科技大学）
The deposition of a thin oxide layer at metal/semiconductor interfaces has been previously reported as a means of reducing contact resistance in 2D electronics. Using X-ray photoelectron spectroscopy with in-situ Ti deposition, we fabricate Au/Ti/TiOx/MoS2 samples as well as Au/Ti/MoS2 and Au/TiOx/MoS2 for comparison. Elemental titanium reacts strongly with MoS2 whereas no interface reactions are observed in the two types of samples containing TiOx/MoS2 interfaces. Using time domain thermoreflectance for the measurement of thermal boundary conductance, we find that samples contacted with Ti an…
Microalloying elements tend to segregate to the matrix-precipitate phase boundaries to reduce the interfacial energy. The segregation mechanism is emerging as a novel design strategy for developing precipitation-hardened alloys with significantly improved coarsening resistance for high temperature applications. In this paper, we report a nanoscopic diffuse-interface thermodynamic model that describes multicomponent segregation behavior in two-phase substitutional alloys. Following classical approaches for grain boundaries, we employ the regular solution thermodynamics to establish segregation …
UO2/BeO interfacial thermal resistance (ITR) is calculated by diffuse mismatch model (DMM) and the effects of ITR on UO2-BeO thermal conductivity are investigated. ITR predicted by DMM is on the order of 10-9 m2K/W. Using this ITR, UO2-BeO thermal conductivities are calculated by theoretical models and compared with experimental data. The results indicate that DMM prediction is applicable to the interface between UO2 and dispersed BeO, while not applicable to the interface between UO2 and continuous BeO. If the thermal conductivity of UO2 containing continuous BeO was to be in agreement with e…
(Li,Al)-co-doped magnesium spinel (Li$_x$Mg$_{1-2x}$Al$_{2+x}$O$_4$) is a solid lithium-ion electrolyte with potential use in all-solid-state lithium-ion batteries. Interfaces with spinel electrodes, such as Li$_y$Mn$_2$O$_4$ and Li$_{4+3z}$Ti$_5$O$_{12}$, may be lattice-matched, with potentially low interfacial resistances. Small lattice parameter differences across a lattice-matched interface are unavoidable, causing residual epitaxial strain. This strain potentially modifies lithium diffusion near the interface, contributing to interfacial resistance. Here we report a density functional the…
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.…
We report on the fabrication of conducting interfaces between LaAlO$_3$ and SrTiO$_3$ by 90$^o$ off-axis sputtering in an Ar atmosphere. At a growth pressure of 0.04 mbar the interface is metallic, with a carrier density of the order of $10^{13}$ cm$^{-2}$ at 3 K. By increasing the growth pressure, we observe an increase of the out-of-plane lattice constants of the LaAlO$_3$ films while the in-plane lattice constants do not change. Also, the low-temperature sheet resistance increases with increasing growth pressure, leading to an insulating interface when the growth pressure reaches 0.10 mbar.…
We have studied the domain wall resistance in W/Ta/CoFeB/MgO heterostructures. The Ta layer thickness is varied to control the type of domain walls via changes in the interfacial Dzyaloshinskii Moriya interaction. We find a nearly constant domain wall resistance against the Ta layer thickness. Adding contributions from the anisotropic magnetoresistance, spin Hall magnetoresistance and anomalous Hall effect describe well the domain wall resistance of the thick Ta layer films. However, a discrepancy remains for the thin Ta layer films wherein chiral Néel-like domain walls are found. These result…
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…
Thermal conductivity and interfacial thermal conductance play crucial roles in the design of engineering systems where temperature and thermal stress are of concerns. To date, a variety of measurement techniques are available for both bulk and thin film solid-state materials with a broad temperature range. For thermal characterization of bulk material, the steady-state absolute method, laser flash diffusivity method, and transient plane source method are most used. For thin film measurement, the 3ω method and transient thermoreflectance technique including both frequency-domain and time-domain…
Using a new class of (BH4)- substituted argyrodite Li6PS5Z0.83(BH4)0.17, (Z = Cl, I) solid electrolyte, Li-metal solid-state batteries operating at room temperature have been developed. The cells were made by combining the modified argyrodite with an In-Li anode and two types of cathode: an oxide, LixMO2 (M = 1/3Ni, 1/3Mn, 1/3Co; so called NMC) and a titanium disulfide, TiS2. The performance of the cells was evaluated through galvanostatic cycling and Alternating Current AC electrochemical impedance measurements. Reversible capacities were observed for both cathodes for at least tens of cycles…
We measure the spin-charge interconversion by the spin Hall effect in ferromagnetic/Pt nanodevices. The extracted effective spin Hall angles (SHAs) of Pt evolve drastically with the ferromagnetic (FM) materials (CoFe, Co, and NiFe), when assuming transparent interfaces and a bulk origin of the spin injection/detection by the FM elements. By carefully measuring the interface resistance, we show that it is quite large and cannot be neglected. We then evidence that the spin injection/detection at the FM/Pt interfaces are dominated by the spin polarization of the interfaces. We show that interfaci…
Li$_{14}$Mn$_{2}$S$_{9}$ and Li$_{10}$Si$_{2}$S$_{9}$ as a pair of all-electrochem-active electrode and solid-state electrolyte with chemical compatibility and low interface resistance
Boundary conditions for the solid-liquid interface of the solidifying pure melt have been derived. In the derivation the model of Gibbs interface is used. The boundary conditions include both the state quantities of bulk phases are taken at the interface and the quantities characterizing interfacial surface such as the surface temperature and the surface heat flux. Introduction of the surface temperature as an independent variable allows us to describe the scattering energy at the interface. For the steady-state motion of the planar interface the expression for the temperature discontinuity ac…
Phase change memory (PCM) is a rapidly growing technology that not only offers advancements in storage-class memories but also enables in-memory data storage and processing towards overcoming the von Neumann bottleneck. In PCMs, the primary mechanism for data storage is thermal excitation. However, there is a limited body of research regarding the thermal properties of PCMs at length scales close to the memory cell dimension and, thus, the impact of interfaces on PCM operation is unknown. Our work presents a new paradigm to manage thermal transport in memory cells by manipulating the interfaci…
Simultaneous measurement of pressure-dependent bulk and interfacial thermal properties in thermal interface materials using square-pulsed source thermoreflectance
School of Energy and Power Engineering, Huazhong University of Science and Technology（华中科技大学能源与动力工程学院）
Lattice initialisation and finite-size effects of non-equilibrium molecular dynamics simulations for heat transfer across graphene-copper interfaces
University of Twente（特温特大学）；Centrum Wiskunde & Informatica（数学与计算机科学中心）；University of Amsterdam（阿姆斯特丹大学）；NLR - Royal Netherlands Aerospace Centre（荷兰皇家航空航天中心）
