Defect-induced conductance oscillations in short atomic chains

Electronic transport through a junction made of two gold electrodes connected with a gold chain containing a silver impurity is analyzed with a tight binding model and the density-functional theory. It is shown that the conductance depends in a simple way on the position of the impurity in the chain and the parity of the total number of atoms of the chain. For an odd chain the conductance takes on a higher value when the Ag impurity substitutes an even Au atom in the chain, and a lower one for an odd position of the Ag atom. In the case of an even chain the conductance hardly depends on the position of the Ag atom. This new kind of a defect-induced parity oscillation of the conductance is significantly more prominent than the well-known even-odd effect related to the dependence of the conductance on the parity of number of atoms in perfect chains.     

Anomalous conductance oscillations and half-metallicity in atomic Ag-O chains

Using spin density functional theory, we study the electronic and magnetic properties of atomically thin, suspended chains containing silver and oxygen atoms in an alternating sequence. Chains longer than 4 atoms develop a half-metallic ground state implying fully spin-polarized charge carriers. The conductances of the chains exhibit weak even-odd oscillations around an anomalously low value of 0.1G0 (G0=2e2/h) which coincide with the averaged experimental conductance in the long chain limit. The unusual conductance properties are explained in terms of a resonating-chain model, which takes the reflection probability and phase shift of a single bulk-chain interface as the only input. The model also explains the conductance oscillations for other metallic chains.     

Electronic density oscillations in gold atomic chains assembled atom by atom

Linear Au chains two to 20 atoms long were constructed on a NiAl(110) surface via the manipulation of single atoms with a scanning tunneling microscope. Differential conductance (dI/dV) images of these chains reveal one-dimensional electronic density oscillations at energies 1.0 to 2.5 eV above the Fermi energy. The origin of this delocalized electronic structure is traced to the existence of an electronic resonance measured on single, isolated Au atoms. Variations in the wavelength in dI/dV images of an eleven-atom chain taken at different energies revealed an effective electronic mass of 0.4+/-0.1 times the mass of a free-electron.     

The influence of coupling between chains on the conductivity of atomic carbon chains

This work presents a theoretical investigation on the electronic properties of double atomic carbon chains bridging graphene electrodes with density functional theory in combination with non-equilibrium Green's function. The influence of strain on the conductance of atomic carbon chains is significant. However, the coupling effect between adjacent chains dominates the intrinsic transport of double atomic carbon chains. For the coupled double atomic chains, the electron conductance of even-numbered atomic chains is significantly enhanced, while the electron conductance of odd-numbered atomic chains decreases to a certain degree, and the dependence of the conductance of double atomic chains on electrode configuration is stronger than the corresponding single atomic chain. More intriguingly, the coupled double atomic chains exhibit excellent spin-filtering properties with antiparallel spins on two electrodes. The current spin polarization stems from the coupling-induced changes of electron density and band offset reaches 100%. The coupled double atomic carbon chains have great potential application in spintronic devices and carbon-based field-effect transistors.     

Stability of sp carbon (carbyne) chains

An sp carbon chain, which contains only one carbon atom in its cross section, is generally considered unstable. In this Letter, however, the DFT calculations showed that an isolated sp carbon chain is more stable than the smallest armchair (3,0) and zigzag (2,2) single-walled carbon nanotubes (SWCNT). This is consistent with the fact that an isolated sp carbon chain was observed by high-resolution transmission electron microscopy, but isolated (3,0) and (2,2) SWCNTs were never produced. Nevertheless, the sp chain is less stable than lager SWCNTs.     

Electronic oscillations in paired polyacetylene chains

An interacting pair of polyacetylene chains are initially modeled as a couple of undimerized polymers described by a Hamiltonian based on the tight-binding model representing the electronic behavior along the linear chain, plus a Dirac’s potential double well representing the interaction between the chains. A theoretical field formalism is employed, and we find that the system exhibits a gap in its energy band due to the presence of a mass-matrix term in the Dirac’s Lagrangian that describes the system. The Peierls instability is introduced in the chains by coupling a scalar field to the fermions of the theory via spontaneous symmetry breaking, to obtain a kink-like soliton, which separates two vacuum regions, i.e., two spacial configurations (enantiomers) of the each molecule. Since that mass-matrix and the pseudo-spin operator do not commute in the same quantum representation, we demonstrate that there is a particle oscillation phenomenon with a periodicity equivalent to the Bloch oscillations.     

Conductance oscillations in zigzag platinum chains

Using first principles simulations we perform a detailed study of the structural, electronic, and transport properties of monatomic platinum chains, sandwiched between platinum electrodes. First, we demonstrate that the most stable atomic configuration corresponds to a zigzag arrangement that gradually straightens as the chains are stretched. Second, we find that the averaged conductance shows slight parity oscillations with the number of atoms in the chain. Additionally, the conductance of chains of fixed oscillates as the end atoms are pulled apart, due to the gradual closing and opening of conductance channels as the chain straightens.     

Entanglement oscillations in open Heisenberg chains

We study pairwise entanglements in spin-half and spin-one Heisenberg chains with an open boundary condition, respectively. We find out that the ground-state and the first-excited-state entanglements are equal for the three-site spin-one chain. When the number of sites L>3, the concurrences and negativities display oscillatory behaviors, and the oscillations of the ground-state and the first-excited-state entanglements are out of phase or in phase.     

简单金属Al原子链的磁性

使用密度泛函理论下的第一性原理方法,研究了纳米尺度下简单金属Al原子链的磁性．计算结果显示,一维的Al原子链无论是在线性链还是锯齿形的结构下都有可能表现出磁性,但是这些磁性都是在原子键长被拉伸的情况下才会出现．通过原子轨道相互作用的图像,配合电子状态密度的计算和Stoner判据,解释了一维Al原子链磁性产生的原因． 关键词： 磁性 Al原子链 第一性原理计算     

Combined effect of Aharonov-Bohm effect and uniaxial strain on quantum conductance oscillations of carbon nanotube resonators

Using the π orbital tight-binding model and the multi-channel Laudauer-Büttiker formula, the combined effect of Aharonov-Bohm effect (induced by an axial magnetic field) and uniaxial strain on quantum conductance oscillations of the electronic Fabry-Perot resonators composed of armchair and metallic zigzag single-walled carbon nanotubes (SWNTs) has been studied. It is found that, for the case of the armchair SWNT, conductance oscillations near the band gap are dominated by Aharonov-Bohm effect, while the conductance oscillations in other regions are dominated by the uniaxial strains. The combined effect of Aharonov-Bohm effect and uniaxial strains on quantum conductance oscillations is not obvious. But, for the case of the metallic zigzag SWNTs, obvious single-channel transport and one or two conductance oscillations existing in two different gate voltage ranges were found by the combined effect of uniaxial strain and axial magnetic field.     

Two-site Kondo effect in atomic chains

Linear CoCu(n)Co clusters on Cu(111) fabricated by atomic manipulation represent a two-site Kondo system with tunable interaction. Scanning tunneling spectroscopy reveals oscillations of the Kondo temperature T(K) with the number n of Cu atoms for n≥3. Density functional calculations show that the Ruderman-Kittel-Kasuya-Yosida interaction mediated by the Cu chains causes the oscillations. Calculations find ferromagnetic and antiferromagnetic interaction for n=1 and 2, respectively. Both interactions lead to a decrease of T(K) as experimentally observed.     

Interaction-induced decoherence of atomic BLOCH oscillations

We show that the energy spectrum of the Bose-Hubbard model amended by a static field exhibits Wigner-Dyson level statistics. In itself a characteristic signature of quantum chaos, this induces the irreversible decay of Bloch oscillations of cold, interacting atoms loaded into an optical lattice, and provides a Hamiltonian model for interaction-induced decoherence.     

Electronic transport in large systems through a QUAMBO-NEGF approach: Application to atomic carbon chains

The conductance of single-atom carbon chain (SACC) between two zigzag graphene nanoribbons (GNR) is studied by an efficient scheme utilizing tight-binding (TB) parameters generated via quasi-atomic minimal basis set orbitals (QUAMBOs) and non-equilibrium Green?s function (NEGF). Large systems (SACC contains more than 50 atoms) are investigated and the electronic transport properties are found to correlate with SACC?s parity. The SACCs provide a stable off or on state in broad energy region (0.1-1 eV) around Fermi energy. The off state is not sensitive to the length of SACC while the corresponding energy region decreases with the increase of the width of GNR.     

Light-driven oscillations of entangled nematic colloidal chains

Laser tweezers have been used to drive the oscillations of a chain of entangled colloidal particles in the nematic liquid crystal 5CB. The amplitude and phase of light-driven oscillations have been determined for the motion of individual colloidal particles. The collective motion of 4.8μm silica particles is highly damped for a driving frequency above 0.5Hz. The results were compared to an effective bead-spring model, where the motion of elastically coupled particles is hindered by viscous damping and hydrodynamic coupling. Qualitative agreement between theory and experiment was obtained.     

On the conductance oscillations in a mesoscopic proximity system

A fork-shapedN-branch Andreev interferometer is considered and the conductance of the system is calculated as a function of the phase difference in the superconducting order parameters across the interferometer. The results obtained from the quasiclassical, and the scattering-matrix theories are quantitatively compared, which were in good qualitative agreement showing a typical 2π-periodic interference pattern with certain fine structures.     

Dynamic conductance of carbon nanotubes

The dynamic conductance of carbon nanotubes was investigated using the nonequilibrium Green's function formalism within the context of a tight-binding model. Specifically, we have studied the ac response of tubes of different helicities, both with and without defects, and an electronic heterojunction. Because of the induced displacement currents, the dynamic conductance of the nanotubes differs significantly from the dc conductance displaying both capacitive and inductive responses. The important role of photon-assisted transport through nanotubes is revealed and its implications for experiments discussed.     

Superfluidity versus Bloch oscillations in confined atomic gases

We study the superfluid properties of (quasi) one-dimensional bosonic atom gases/liquids in traps with finite geometries in the presence of strong quantum fluctuations. Driving the condensate with a moving defect we find the nucleation rate for phase slips using instanton techniques. While phase slips are quenched in a ring resulting in a superfluid response, they proliferate in a tube geometry where we find Bloch oscillations in the chemical potential. These Bloch oscillations describe the individual tunneling of atoms through the defect and thus are a consequence of particle quantization.     

Anomalous conductance quantization in carbon nanotubes

Conductance measurements of carbon nanotubes containing gated local depletion regions exhibit plateaus as a function of gate voltage, spaced by approximately 1e(2)/h, the quantum of conductance for a single (nondegenerate) mode. Plateau structure is investigated as a function of bias voltage, temperature, and magnetic field. We speculate on the origin of this surprising quantization, which appears to lack band and spin degeneracy.     

Coupling effects on Rabi oscillations in quantum dots chains

In this work, we calculate the temporal evolution of electronic states under AC electric fields. We do that by obtaining the eigenenergies and wave functions of states of the first two minibands for arrays of 10 cylindrical quantum dots, both vertically and laterally coupled, which exhibit notable difference in their symmetry levels and coupling magnitudes. We observe an important dependence of the Rabi amplitude on the wave function symmetry and the coupling magnitude, and conclude that Rabi oscillations at the terahertz range are best suited for the higher coupling between dots.