相关论文: Quantum interference in coherent tunnelling throug…

Exchange interaction strongly influences the long-range behaviour of localised electron orbitals and quantum tunneling amplitudes. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual…

We investigate charge transport in C$_{60}$-based single-molecule junctions with graphene electrodes employing a combination of density functional theory (DFT) electronic structure calculations and Landauer transport theory. In particular,…

Using the density matrix renormalization group (DMRG) method, we study the quantum coherence in one-dimensional disordered Fermi systems. We consider in detail spinless fermions on a ring, and compare the influence of several kinds of…

The ability to detect and distinguish quantum interference signatures is important for both fundamental research and for the realization of devices including electron resonators, interferometers and interference-based spin filters.…

We study dynamic nonequilibrium electron charging phenomena in ballistic molecular devices at room temperature that compromise their response to bias and whose nature is evidently distinguishable from static Schottky-type potential…

Non-diffusive effects in charge transport become relevant as device sizes and features become comparable to the electronic mean free path. As a model system, we investigate the electric transport around mesoscopic defects in graphene with…

Triple-Q density waves are commonly found in various materials, such as charge density waves in transition metal dichalcogenides and spin density waves (skyrmion crystals) in B20 compounds. Compared to single-Q density waves, triple-Q…

Accurate low-order structure factors (Fg) measured by quantitative convergent beam electron diffraction (QCBED) were used for validation of different density functional theory (DFT) approximations. 23 low-order Fg were measured by QCBED for…

While in strongly correlated materials one often focuses on local electronic correlations, the influence of non-local exchange and correlation effects beyond band-theory can be pertinent in systems with more extended orbitals. Thus in many…

We study the effects of marginally spinful electron-electron interactions on the low-energy instabilities and favorable phase transitions in a two-dimensional (2D) spin-$1/2$ semimetal that owns a quadratic band crossing point (QBCP)…

We study the electronic and structural properties of the low-temperature ordered phase of hydrogen-bonded molecular conductors, $\kappa$-D$_3$(Cat-EDT-TTF)$_2$ and its selenium-substituted analog $\kappa$-D$_3$(Cat-EDT-ST)$_2$, by means of…

We report several quantum interference effects in graphene grown by chemical vapor deposition. A crossover between weak localization and weak antilocalization effects is observed when varying the gate voltage and we discuss the underlying…

In this paper, we investigate the quasiparticle scattering interference(QPI) in the nematic phase of iron pnictides, based on the magnetic and orbital scenarios of nematicity, respectively. In the spin density wave(SDW) state, the QPI…

We use ab initio density functional calculations to determine the interaction of a graphene monolayer with the Si(111) surface. We found that graphene forms strong bonds to the bare substrate and accommodates the 12% lattice mismatch by…

We achieve, at room temperature, conductance enhancements over two orders of magnitude in single molecule circuits formed with polycyclic benzoquinoidal (BQn) diradicals upon increasing molecular length by ~0.5 nm. We find that this extreme…

We present a theory of coherent quantum transport in ferromagnetic/ non-magnetic/ ferromagnetic heterojunctions. We predict quantum coherence to give rise to a quantum spin valve effect that, unlike its familiar classical analog, occurs…

The controlled and reversible interconversion between the free-base and the doubly dehydrogenated form of a 5,10,15,20-tetra(p-hydroxyphenyl)porphyrin molecule in an ordered array is demonstrated. This is achieved through voltage pulses by…

We investigate electron transport through single conjugated molecules - including benzenedithiol, oligo-phenylene-ethynylenes of different lengths, and a ferrocene-containing molecule sandwiched between two gold electrodes with different…

In this work the root to macroscopic quantum effects is revealed based on the quasiparticle model of collective excitations in an arbitrary degenerate electron gas. The $N$-electron quantum system is considered as $N$ streams coupled,…

We present a combined DFT and model Hamiltonian analysis of spin-orbit coupling in graphene induced by copper adatoms in the bridge and top positions, representing isolated atoms in the dilute limit. The orbital physics in both systems is…