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Register a new userAtomistic calculation of the thermal conductance of large scale bulk-nanowire junctions
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We have developed an efficient scalable kernel method for thermal transport in open systems, with which we have computed the thermal conductance of a junction between bulk silicon and silicon nanowires with diameter up to 10 nm. We have devised scaling laws for transmission and reflection spectra, which allow us to predict the thermal resistance of bulk-nanowire interfaces with larger cross sections than those achievable with atomistic simulations. Our results indicate the characteristic size beyond which atomistic systems can be treated accurately by mesoscopic theories.
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Networks of silicon nanowires possess intriguing electronic properties surpassing the predictions based on quantum confinement of individual nanowires. Employing large-scale atomistic pseudopotential computations, as yet unexplored branched nanostructures are investigated in the subsystem level, as well as in full assembly. The end product is a simple but versatile expression for the bandgap and band edge alignments of multiply-crossing Si nanowires for various diameters, number of crossings, and wire orientations. Further progress along this line can potentially topple the bottom-up approach for Si nanowire networks to a top-down design by starting with functionality and leading to an enabling structure.
We present a comprehensive study of the properties of the off-resonant conductance spectrum in oligomer nanojunctions between graphitic electrodes. By employing first-principle-based methods and the Landauer approach of quantum transport, we identify how the electronic structure of the molecular junction components is reflected in electron transport across such systems. For virtually all energies within the conduction gap of the corresponding idealised polymer chain, we show that: a) the inverse decay length of the tunnelling conductance is intrinsically defined by the complex-band structure of the molecular wire despite ultrashort oligomer lengths of few monomer units, and b) the contact conductance crucially depends on both the local density of states on the metal side and the realised interfacial contact.
A three-dimensional Dirac semimetal has bulk Dirac cones in all three momentum directions and Fermi arc-like surface states, and can be converted into a Weyl semimetal by breaking time-reversal symmetry. However, the highly conductive bulk state usually hides the electronic transport from the surface state in Dirac semimetal. Here, we demonstrate the supercurrent carried by bulk and surface states in Nb-Cd3As2 nanowire-Nb short and long junctions, respectively. For the 1 micrometer long junction, the Fabry-Perot interferences induced oscillations of the critical supercurrent are observed, suggesting the ballistic transport of the surface states carried supercurrent, where the bulk states are decoherent and the topologically protected surface states still keep coherent. Moreover, a superconducting dome is observed in the long junction, which is attributed to the enhanced dephasing from the interaction between surface and bulk states as tuning gate voltage to increase the carrier density. The superconductivity of topological semimetal nanowire is promising for braiding of Majorana fermions toward topological quantum computing.
We report a systematic experimental study of mesoscopic conductance fluctuations in superconductor/normal/superconductor (SNS) devices Nb/InAs-nanowire/Nb. These fluctuations far exceed their value in the normal state and strongly depend on temperature even in the low-temperature regime. This dependence is attributed to high sensitivity of perfectly conducting channels to dephasing and the SNS fluctuations thus provide a sensitive probe of dephasing in a regime where normal transport fails to detect it. Further, the conductance fluctuations are strongly non-linear in bias voltage and reveal sub-gap structure. The experimental findings are qualitatively explained in terms of multiple Andreev reflections in chaotic quantum dots with imperfect contacts.
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 upper limit of conductance across molecular junctions has not been explored, despite the great potential for efficient information transfer, charge injection and recombination processes. Here, we study the conductance properties of highly transmitting metal-molecule-metal interfaces, using a series of single-molecule junctions based on oligoacenes with increasing length. We find that the conductance saturates at an upper limit where it is independent of molecule length. Furthermore, we show that this upper limit can be controlled by the character of the orbital hybridization at the metal-molecule interface. Using two prototype systems, in which the molecules are contacted by either Ag or Pt electrodes, we reveal two different origins for the saturation of conductance. In the case of Ag-based molecular junctions, the conductance saturation is ascribed to a competition between energy level alignment and level broadening, while in the case of Pt-based junctions, the saturation is attributed to a band-like transport. The results are explained by an intuitive model, backed by ab-initio transport calculations. Our findings shed light on the mechanisms that constrain the conductance at the high transmission limit, providing guiding principles for the design of highly conductive metal-molecule interfaces.
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