arXiv subjects

Antti-Pekka Jauho

Publications and source records attributed to Antti-Pekka Jauho.

At least 109 records · Page 6Linked to original sources

arXiv2008

Transport in Silicon Nanowires: Role of Radial Dopant Profile

We consider the electronic transport properties of phosphorus (P) doped silicon nanowires (SiNWs). By combining ab initio density functional theory (DFT) calculations with a recursive Green's function method, we calculate the conductance distribution of up to 200 nm long SiNWs with different distributions of P dopant impurities. We find that the radial distribution of the dopants influences the conductance properties significantly: Surface doped wires have longer mean-free paths and smaller sample-to-sample fluctuations in the cross-over from ballistic to diffusive transport. These findings can be quantitatively predicted in terms of the scattering properties of the single dopant atoms, implying that relatively simple calculations are sufficient in practical device modeling

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arXiv2008

Designed defects in 2D antidot lattices for quantum information processing

We propose a new physical implementation of spin qubits for quantum information processing, namely defect states in antidot lattices defined in the two-dimensional electron gas at a semiconductor heterostructure. Calculations of the band structure of a periodic antidot lattice are presented. A point defect is created by removing a single antidot, and calculations show that localized states form within the defect, with an energy structure which is robust against thermal dephasing. The exchange coupling between two electrons residing in two tunnel-coupled defect states is calculated numerically. We find results reminiscent of double quantum dot structures, indicating that the suggested structure is a feasible physical implementation of spin qubits.

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arXiv2008

Spin qubits in antidot lattices

We suggest and study designed defects in an otherwise periodic potential modulation of a two-dimensional electron gas as an alternative approach to electron spin based quantum information processing in the solid-state using conventional gate-defined quantum dots. We calculate the band structure and density of states for a periodic potential modulation, referred to as an antidot lattice, and find that localized states appear, when designed defects are introduced in the lattice. Such defect states may form the building blocks for quantum computing in a large antidot lattice, allowing for coherent electron transport between distant defect states in the lattice and tunnel coupling of neighboring defect states with corresponding electrostatically controllable exchange coupling between different electron spins.

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arXiv2007

Mesoscopic photon heat transistor

We show that the heat transport between two bodies, mediated by electromagnetic fluctuations, can be controlled with an intermediate quantum circuit - leading to the device concept Mesoscopic Photon Heat Transistor (MPHT). Our theoretical analysis is based on a novel Meir-Wingreen-Landauer type of conductance formula, which gives the photonic heat current through an arbitrary circuit element coupled to two dissipative reservoirs at finite temperatures. As an illustration we present an exact solution for the case when the intermediate circuit can be described as an electromagnetic resonator. We discuss in detail how the MPHT can be implemented experimentally in terms of a flux-controlled SQUID circuit.

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arXiv2007

Failure of standard approximations of the exchange coupling in nanostructures

We calculate the exchange coupling for a double dot system using a novel, numerically exact yet efficient technique, based on finite-element methods. Specifically, we evaluate the exchange coupling both for a quasi-one and a two-dimensional system, also including an applied magnetic field. Our numerical results provide a stringent test for standard approximation schemes (e.g., Heitler-London, Hund-Mulliken, Hubbard), and they show that the standard methods do not have reliable predictive power for real quantum-dot systems.

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arXiv2007

Scaling theory put into practice: first-principles modeling of transport in doped silicon nanowires

We combine the ideas of scaling theory and universal conductance fluctuations with density-functional theory to analyze the conductance properties of doped silicon nanowires. Specifically, we study the cross-over from ballistic to diffusive transport in boron (B) or phosphorus (P) doped Si-nanowires by computing the mean free path, sample averaged conductance , and sample-to-sample variations std(G) as a function of energy, doping density, wire length, and the radial dopant profile. Our main findings are: (i) the main trends can be predicted quantitatively based on the scattering properties of single dopants; (ii) the sample-to-sample fluctuations depend on energy but not on doping density, thereby displaying a degree of universality, and (iii) in the diffusive regime the analytical predictions of the DMPK theory are in good agreement with our ab initio calculations.

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arXiv2006

Inelastic transport theory from first-principles: methodology and applications for nanoscale devices

We describe a first-principles method for calculating electronic structure, vibrational modes and frequencies, electron-phonon couplings, and inelastic electron transport properties of an atomic-scale device bridging two metallic contacts under nonequilibrium conditions. The method extends the density-functional codes SIESTA and TranSIESTA that use atomic basis sets. The inelastic conductance characteristics are calculated using the nonequilibrium Green's function formalism, and the electron-phonon interaction is addressed with perturbation theory up to the level of the self-consistent Born approximation. While these calculations often are computationally demanding, we show how they can be approximated by a simple and efficient lowest order expansion. Our method also addresses effects of energy dissipation and local heating of the junction via detailed calculations of the power flow. We demonstrate the developed procedures by considering inelastic transport through atomic gold wires of various lengths, thereby extending the results presented in [Frederiksen et al., Phys. Rev. Lett. 93, 256601 (2004)]. To illustrate that the method applies more generally to molecular devices, we also calculate the inelastic current through different hydrocarbon molecules between gold electrodes. Both for the wires and the molecules our theory is in quantitative agreement with experiments, and characterizes the system-specific mode selectivity and local heating.

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arXiv2006

Electronic transport in Si nanowires: Role of bulk and surface disorder

We calculate the resistance and mean free path in long metallic and semiconducting silicon nanowires (SiNWs) using two different numerical approaches: A real space Kubo method and a recursive Green's function method. We compare the two approaches and find that they are complementary: depending on the situation a preferable method can be identified. Several numerical results are presented to illustrate the relative merits of the two methods. Our calculations of relaxed atomic structures and their conductance properties are based on density functional theory without introducing adjustable parameters. Two specific models of disorder are considered: Un-passivated, surface reconstructed SiNWs are perturbed by random on-site (Anderson) disorder whereas defects in hydrogen passivated wires are introduced by randomly removed H atoms. The un-passivated wires are very sensitive to disorder in the surface whereas bulk disorder has almost no influence. For the passivated wires, the scattering by the hydrogen vacancies is strongly energy dependent and for relatively long SiNWs (L>200 nm) the resistance changes from the Ohmic to the localization regime within a 0.1 eV shift of the Fermi energy. This high sensitivity might be used for sensor applications.

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arXiv2005

Quantum computing via defect states in two-dimensional anti-dot lattices

We propose a new structure suitable for quantum computing in a solid state environment: designed defect states in antidot lattices superimposed on a two-dimensional electron gas at a semiconductor heterostructure. State manipulation can be obtained with gate control. Model calculations indicate that it is feasible to fabricate structures whose energy level structure is robust against thermal dephasing.

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arXiv2005

Noise and Bistabilities in Quantum Shuttles

We present a study of current fluctuations in two models proposed as quantum shuttles. Based on a numerical evaluation of the first three cumulants of the full counting statistics we have recently shown that a giant enhancement of the zero-frequency current noise in a single-dot quantum shuttle can be explained in terms of a bistable switching between two current channels. By applying the same method to a quantum shuttle consisting of a vibrating quantum dot array, we show that the same mechanism is responsible for a giant enhancement of the noise in this model, although arising from very different physics. The interpretation is further supported by a numerical evaluation of the finite-frequency noise. For both models we give numerical results for the effective switching rates.

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arXiv2005

Full counting statistics of nano-electromechanical systems

We develop a theory for the full counting statistics (FCS) for a class of nanoelectromechanical systems (NEMS), describable by a Markovian generalized master equation. The theory is applied to two specific examples of current interest: vibrating C60 molecules and quantum shuttles. We report a numerical evaluation of the first three cumulants for the C60-setup; for the quantum shuttle we use the third cumulant to substantiate that the giant enhancement in noise observed at the shuttling transition is due to a slow switching between two competing conduction channels. Especially the last example illustrates the power of the FCS.

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arXiv2004

Current noise spectrum of a quantum shuttle

We present a method for calculating the full current noise spectrum for the class of nano-electromechanical systems (NEMS) that can be described by a Markovian generalized master equation. As a specific example we apply the method to a quantum shuttle. The noise spectrum of the shuttle has peaks at integer multiples of the mechanical frequency, which is slightly renormalized. The renormalization explains a previously observed small deviation of the shuttle current compared to the expected value given by the product of the natural mechanical frequency and the electron charge. For a certain parameter range the quantum shuttle exhibits a coexistence regime, where the charges are transported by two different mechanisms: shuttling and sequential tunneling. In our previous studies we showed that characteristic features in the zero-frequency noise could be quantitatively understood as a slow switching process between the two current channels, and the present study shows that this interpretation holds also qualitatively at finite frequency.

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arXiv2004

Inelastic scattering and local heating in atomic gold wires

We present a method for including inelastic scattering in a first-principles density-functional computational scheme for molecular electronics. As an application, we study two geometries of four-atom gold wires corresponding to two different values of strain, and present results for nonlinear differential conductance vs. device bias. Our theory is in quantitative agreement with experimental results, and explains the experimentally observed mode selectivity. We also identify the signatures of phonon heating.

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arXiv2004

Modeling of quantum electromechanical systems

We discuss methods for numerically solving the generalized Master equation GME which governs the time-evolution of the reduced density matrix of a mechanically movable mesoscopic device in a dissipative environment. As a specific example, we consider the quantum shuttle -- a generic quantum nanoelectromechanical system (NEMS). When expressed in the oscillator basis, the static limit of the GME becomes a large linear non-sparse matrix problem (characteristic size larger than 10^4 by 10^4) which however, as we show, can be treated using the Arnoldi iteration scheme. The numerical results are interpreted with the help of Wigner functions, and we compute the current and the noise in a few representative cases.

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arXiv2004

Modeling of inelastic transport in one-dimensional metallic atomic wires

Inelastic effects in electron transport through nano-sized devices are addressed with a method based on nonequilibrium Green's functions (NEGF) and perturbation theory to infinite order in the electron-vibration coupling. We discuss the numerical implementation which involves an iterative scheme to solve a set of coupled non-linear equations for the electronic Green's functions and the self-energies due to vibrations. To illustrate our method, we apply it to a one-dimensional single-orbital tight-binding description of the conducting electrons in atomic gold wires, and show that this simple model is able to capture most of the essential physics.

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arXiv2004

Shot Noise of a Quantum Shuttle

We formulate a theory for shot noise in quantum nanoelectromechanical systems. As a specific example, the theory is applied to a quantum shuttle, and the zero-frequency noise, measured by the Fano factor F, is computed. F reaches very low values (F~0.01) in the shuttling regime even in the quantum limit, confirming that shuttling is universally a low noise phenomenon. In approaching the semiclassical limit, the Fano factor shows a giant enhancement (F~100) at the shuttling threshold, consistent with predictions based on phase-space representations of the density matrix.

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arXiv2004

Current noise in a vibrating quantum dot array

We develop methods for calculating the zero-frequency noise for quantum shuttles, i.e. nanoelectromechanical devices where the mechanical motion is quantized. As a model system we consider a three-dot array, where the internal electronic coherence both complicates and enriches the physics. Two different formulations are presented: (i) quantum regression theorem, and (ii) the counting variable approach. It is demonstrated, both analytically and numerically, that the two formulations yield identical results, when the conditions of their respective applicability are fulfilled. We describe the results of extensive numerical calculations for current and current noise (Fano factor), based on a solution of a Markovian generalized master equation. The results for the current and noise are further analyzed in terms of Wigner functions, which help to distinguish different transport regimes (in particular, shuttling vs. cotunneling). In the case of weak inter-dot coupling, the electron transport proceeds via sequential tunneling between neighboring dots. A simple rate equation with the rates calculated analytically from the P(E)-theory is developed and shown to agree with the full numerics.

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arXiv2004

Shuttle instabilities: semiclassical phase analysis

We present a semiclassical analysis of the instability of an electron shuttle composed of three quantum dots: two are fixed and coupled via leads to electron resevoirs at different chemical potentials, while the central dot is mounted on a classical harmonic oscillator. The semiclassical analysis, which is valid if the central dot oscillation amplitude is larger than the quantum mechanical zero point motion, can be used to gain additional insight about the relationship of resonances and instabilities of the device.

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