arXiv subjects

Chun Zhang

Publications and source records attributed to Chun Zhang.

50 records · Page 3Linked to original sources

arXiv2012

Electrical transport across metal/two-dimensional carbon junctions: Edge versus side contacts

Metal/two-dimensional carbon junctions are characterized by using a nanoprobe in an ultrahigh vacuum environment. Significant differences were found in bias voltage (V) dependence of differential conductance (dI/dV) between edge- and side-contact; the former exhibits a clear linear relationship (i.e., dI/dV \propto V), whereas the latter is characterized by a nonlinear dependence, dI/dV \propto V3/2. Theoretical calculations confirm the experimental results, which are due to the robust two-dimensional nature of the carbon materials under study. Our work demonstrates the importance of contact geometry in graphene-based electronic devices.

cond-mat.mes-hall↗

arXiv2011

Switching and Rectification of a Single Light-sensitive Diarylethene Molecule Sandwiched between Graphene Nanoribbons

The 'open' and 'closed' isomers of the diarylethene molecule that can be converted between each other upon photo-excitation are found to have drastically different current-voltage characteristics when sandwiched between two graphene nanoribbons (GNRs). More importantly, when one GNR is metallic and another one is semiconducting, strong rectification behavior of the 'closed' diarylethene isomer with the rectification ratio >10^3 is observed. The surprisingly high rectification ratio originates from the band gap of GNR and the bias-dependent variation of the lowest unoccupied molecular orbital (LUMO) of the diarylethene molecule, the combination of which completely shuts off the current at positive biases. Results presented in this paper may form the basis for a new class of molecular electronic devices.

cond-mat.mes-hall↗

arXiv2011

Dielectric properties and lattice dynamics of alpha-PbO2-type TiO2: The role of soft phonon modes in pressure-induced phase transition to baddeleyite-type TiO2

Dielectric tensor and lattice dynamics of alpha-PbO2-type TiO2 have been investigated using the density functional perturbation theory, with a focus on responses of the vibrational frequencies to pressure. The calculated Raman spectra under different pressures are in good agreement with available experimental results and the symmetry assignments of the Raman peaks of alpha-PbO2-type TiO2 are given for the first time. In addition, we identified two anomalously IR-active soft phonon modes, B1u and B3u, respectively, around 200 cm-1 which have not been observed in high pressure experiments. Comparison of the phonon dispersions at 0 and 10 GPa reveals that softening of phonon modes also occurs for the zone-boundary modes. The B1u and B3u modes play an important role in transformation from the alpha-PbO2-type phase to baddeleyite phase. The significant relaxations of the oxygen atoms from the Ti4 plane in the Ti2O2Ti2 complex of the baddeleyite phase are directly correlated to the oxygen displacements along the directions given by the eigenvectors of the soft B1u and B3u modes in the alpha-PbO2-type phase.

cond-mat.mtrl-sci↗

arXiv2011

Adsorbate and defect effects on electronic and transport properties of gold nanotubes

First-principles calculations have been performed to study the effects of adsorbates (CO molecules and O atoms) and defects on electronic structures and transport properties of Au nanotubes (Au(5, 3) and Au(5, 5)). For CO adsorption, various adsorption sites of CO on the Au tubes were considered. The vibrational frequency of the CO molecule was found to be very different for two nearly degenerate stable adsorption configurations of Au(5, 3), implying the possibility of distinguishing these two configurations via measuring the vibrational frequency of CO in experiments. After CO adsorption, the conductance of Au(5, 3) decreases by 0.9G0 and the conductance of Au(5, 5) decreases by approximately 0.5G0. For O-adsorbed Au tubes, O atoms strongly interact with Au tubes, leading to around 2G0 of drop in conductance for both Au tubes. These results may have implications for Au-tube-based chemical sensing. When a monovacancy defect is present, we found that, for both tubes, the conductance decreases by around 1G0. Another type of defect arising from the adhesion of one Au atom is also considered. For this case, it is found that, for the Au(5, 3) tube, the defect decreases the conductance by nearly 1G0, whereas for Au(5, 5), the decrease in conductance is only 0.3G0.

cond-mat.mes-hall↗

arXiv2011

Strain effects on work functions of pristine and potassium-decorated carbon nanotubes

Strain dependence of electronic structures and work functions of both pristine and potassium doped (5,5) (armchair) and (9,0) (zigzag) carbon nanotubes (CNTs) has been thoroughly studied using first-principles calculations based on density functional theory (DFT). We found that for pristine cases, the uniaxial strain has strong effects on work functions of CNTs, and the responses of work functions of CNT (5,5) and (9,0) to the strain are distinctly different. When the strain changes from -10% to +10%, the work function of the CNT (5,5) increases monotonically from 3.95 eV to 4.57 eV, and the work function of the (9,0) varies between 4.27 eV and 5.24 eV in a complicated manner. When coated with potassium, for both CNTs, work functions can be lowered down by more than 2.0 eV, and the strain dependence of work functions changes drastically. Our studies suggested that the combination of chemical coating and tuning of strain may be a powerful tool for controlling work functions of CNTs, which in turn will be useful in future design of CNT-based electronic and field-emitting devices.

cond-mat.mtrl-sci↗

arXiv2011

Bandgap engineering of zigzag graphene nanoribbons by manipulating edge states via defective boundaries

One of severe limits of graphene nanoribbons (GNRs) in future applications is that zigzag GNRs (ZGNRs) are gapless, so cannot be used in field effect transistors (FETs). In this paper, using tight-binding approach and first principles method, we derived and proved a general edge (boundary) condition for the opening of a significant bandgap in ZGNRs with defective edge structures. The proposed semiconducting GNRs have some interesting properties including the one that they can be embedded and integrated in a large piece of graphene without the need of completely cutting them out. We also demonstrated a new type of high-performance all-ZGNR FET.

cond-mat.mes-hall↗

arXiv2011

Differential Conductance Anomaly in Superconducting Quantum Point Contacts

We present in this letter a theoretical analysis of the current-voltage (I-V) characteristics of a hybrid normal-superconducting device consisting of a quantum dot and two electrodes that can be either normal or superconducting. We show that voltage drops at two different contacts that have been regarded unimportant in literature play essential roles in the Andreev tunneling process when at least one of electrodes is superconducting. A differential-conductance-anomaly caused by the aforementioned voltage drops is predicted. We also propose a new spectroscopy method to measure the energy levels of a quantum dot as well as voltage drops at contacts between the quantum dot and the two leads. Our findings have potential applications for the next generation of electronic devices at nanoscale.

cond-mat.supr-con↗

arXiv2011

Electron tunneling through hybrid superconducting-normal quantum point contacts under microwave radiation

We present a theoretical analysis for photon-assisted electron tunneling through a hybrid superconducting-normal quantum point contact (QPC) consisting of a superconducting lead (S), a normal two-level quantum dot (N), and a normal lead (N). Using single particle non-equilibrium Green's function formalism, we incorporate Floquet basis in the Nambu space and solve the Green's function with finite matrix truncation to obtain the transport properties numerically. Based on the proposed method, we studied the effects of photon-induced single-level oscillations and quantum transition between two levels on the current-voltage (I-V) characteristics of a superconducting QPC. For the single level case, the main dc resonance in the I-V curve remains unchanged regardless of the frequency and amplitude of the radiation, and a series of secondary resonances due to multi-photon processes are present. When the transition between two levels ($ε_{1}$, $ε_{2}$) is taken into account and level oscillations are neglected, photons only have significant effects at Rabi resonance when $\hbarω=(ε_{2}-ε_{1})$. At Rabi resonance, the main dc resonance splits into two, and the separation between them is determined by the coupling strength of the two levels.

cond-mat.supr-con↗

arXiv2011

Two-dimensional Graphene Superlattice Made with Partial Hydrogenation

Electronic properties of two-dimensional graphene superlattice made with partial hydrogenation were thoroughly studied via Density Functional Tight Binding approach (DFTB) which incorporates the tight-binding method into the density functional formalism. The two-dimensional (2-d) pattern of hydrogen atoms on graphene was found to have great effects on electronic structures of graphene superlattice. In particular, the edges of the 2-d pattern, armchair or zigzag, are essential for the energy band gap opening, and the energy band gap sensitively depends on the shape, size, and the 2-d periodicity of the pattern. Based on these findings, we suggested that the 2-d graphene superlattice may be used in fabricating quantum dots and 2-d heterojunctions on graphene without the need for cutting or etching.

cond-mat.mes-hall↗

arXiv2011

Predicted Oxidation of CO Catalyzed by Au Nanoclusters on a Thin Defect-Free MgO Film Supported on a Mo(100) Surface

Here we show results of first-principles investigations aiming at tuning and controlling the catalytic activity of gold nanoclusters through the design of the underlying support. We show that gold clusters adsorbed on a very thin (2 layers) defect-free MgO film which is itself supported on Mo(100), may serve as model catalysts for the low-barrier oxidation of CO. The origin of the emergent activity of the nanoclusters is a dimensionality crossover of the adsorbed gold clusters, from inactive three-dimensional (3D) optimal structures on thick MgO films, to catalytically active 2D ones for sufficiently thin MgO films (less then 1nm in thickness) supported on Mo(100).

cond-mat.mtrl-sci↗

arXiv2011

Mott scattering at the interface between a metal and a topological insulator

We compute the spin-active scattering matrix and the local spectrum at the interface between a metal and a three-dimensional topological band insulator. We show that there exists a critical incident angle at which complete (100%) spin flip reflection occurs and the spin rotation angle jumps by $π$. We discuss the origin of this phenomena, and systematically study the dependence of spin-flip and spin-conserving scattering amplitudes on the interface transparency and metal Fermi surface parameters. The interface spectrum contains a well-defined Dirac cone in the tunneling limit, and smoothly evolves into a continuum of metal induced gap states for good contacts. We also investigate the complex band structure of Bi$_2$Se$_3$.

cond-mat.mes-hall↗

arXiv2010

Graphene-based spintronic components

A major challenge of spintronics is in generating, controlling and detecting spin-polarized current. Manipulation of spin-polarized current, in particular, is difficult. We demonstrate here, based on calculated transport properties of graphene nanoribbons, that nearly +-100% spin-polarized current can be generated in zigzag graphene nanoribbons (ZGNRs) and tuned by a source-drain voltage in the bipolar spin diode, in addition to magnetic configurations of the electrodes. This unusual transport property is attributed to the intrinsic transmission selection rule of the spin subbands near the Fermi level in ZGNRs. The simultaneous control of spin current by the bias voltage and the magnetic configurations of the electrodes provides an opportunity to implement a whole range of spintronics devices. We propose theoretical designs for a complete set of basic spintronic devices, including bipolar spin diode, transistor and logic gates, based on ZGNRs.

cond-mat.mtrl-sci↗

arXiv2007

Quark number scaling of $v_2$ in transverse kinetic energy and it's implications for coalescence models

We find that a simple extension of the coalescence model is sufficient to incorporate the perfect quark number scaling behavior of the elliptic flow in transverse kinetic energy, recently discovered by the PHENIX Collaboration. The flavor dependence of the elliptic flow can be consistently described in the low and intermediate $p_T$ if the transverse kinetic energy is conserved in the $2\to1$ or $3\to1$ parton coalescence process at the hadronization. Thus suggesting the quark coalescence as a possible hadronization mechanism at low $p_T$ as well.

hep-ph↗

arXiv1999

Two-dimensional photonic crystal polarizer

A novel polarizer made from two-dimensional photonic bandgap materials was demonstrated theoretically. This polarizer is fundamentally different from the conventinal ones. It can function in a wide frequency range with high performance and the size can be made very compact, which renders it useful as a micropolarizer in microoptics.

cond-mat.soft↗