nanoelectronics - Institut d'Études Scientifiques de Cargèse (IESC)

nanoelectronics - Institut d'Études Scientifiques de Cargèse (IESC) nanoelectronics - Institut d'Études Scientifiques de Cargèse (IESC)

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Friday Electron interferometry with a Quantum Point Contact: Effect of electron-electron interaction and temperature Andrii Kleshchonok, Geneviève Fleury, Jean-Louis Pichard Service de Physique de l’Etat Condensé, IRAMIS / SPEC, CEA Saclay, 91191 Gif-sur- Yvette, France Motivated by experiments recently made in Harvard [1], Stanford [2], Zurich [3] and Grenoble [4], we study a simplified model for describing an electron interferometer formed with a quantum point contact and the depletion region induced by the charged tip of a scanning gate microscope. The contact is made of a single site with Hubbard interaction U (Anderson impurity) coupling two semi-infinite square lattices. A local moment [5] can take place in the contact above the Kondo temperature. We study how this moment can be manipulated when one scans the tip around the contact. We discuss also how the conductance of this interferometer depends on the location the tip, on the strength U of the interaction and on the temperature, in regimes where the Hartree-Fock approximation remains valid [6]. In certain cases, an enhancement of the interference fringes can be yielded by an increase of the temperature [7] or an increase of the strength U of the interaction. [1] M.A. Topinka, et al. Coherent Branched Flow in a Two-Dimensional Electron Gas, Nature 410 183 (2001) [2] M. P. Jura, et al. Unexpected features of branched flow through high-mobility twodimensional electron gases , Nature Physics 3 841-845 (2007) [3] A. A. Kozikov, et al. Interference of electrons in backscattering through a quantum point contact, arXiv:1206.1371v1 [4] M. G.Pala , et al. Scanning gate microscopy of quantum rings: effects of an external magnetic field and of charged defects, Nanotechnology 20, 26 (2009) [5] Anderson P. W. Localized Magnetic States in Metals, Physical Review 124 41-53 (1961) [6] Tsvelick A. M., Wiegmann P. B. Exact results in the theory of magnetic alloys, Advances in Physics 32 453 (1983) [7] About A., Lemarié G., Pichard J.-L. Thermal Enhancement of Interference Effects in Quantum Point Contacts Phys. Rev. Lett. 106 156810 (2011) __________________________________________________________________________ Symmetry-induced interference effects in metalloporphyrins wires R.Ferradás 1,2 , V.M.García-Suárez 1,2,3 and J.Ferrer 1,2,3 1 Departamento de Física, Universidad de Oviedo, 33007 Oviedo, Spain 2 Nanomaterials and Nanotechnology Research Center, CSIC-Universidad de Oviedo, Spain 3 Department of Physics, Lancaster University, Lancaster LA1 4YW, United Kingdom Organo-metallic molecular structures where a single metallic atom is embedded in the organic backbone are ideal systems to study the effect of strong correlations on their electronic structure. In this work we calculate the electronic and transport properties of a series of metalloporphyrin molecules sandwiched by gold electrodes using a combination of density functional theory and scattering theory. The impact of strong correlations at the central metallic atom is gauged by comparing our results obtained using conventional DFT and DFT+U approaches. The zero bias transport properties may or may not show spinfiltering behavior, depending on the nature of the d state closest to the Fermi energy. The type of d state depends on the metallic atom and gives rise to interference effects that produce different Fano features. The inclusion of the U term opens a gap between the d states and changes qualitatively the conductance and spin-filtering behavior in some of the

Friday molecules. We explain the origin of the quantum interference effects found as due to the symmetry-dependent coupling between the d states and other molecular orbitals and propose the use of these systems as nanoscale chemical sensors. We also demonstrate that an adequate treatment of strong correlations is really necessary to correctly describe the transport properties of metalloporphyrins and similar molecular magnets. [1] D. Dolphin, The Porphyrins Handbook, Academic, New York (1978) [2] M. Liao and S.Scheiner, Electronic structure and bonding in metal porphyrins, Journal of chemical Physics 117, 205 (2002) [3] J. Otsuki, STM studies on Porphyrins, Chemical Review 254, 2311 (2010) [4] V.I. Anisimov, J. Zaanen and O.K. Andersen, Band theory and Mott insulators: Hubbard instead of Stoner I, Physical Review B 44, 943 (1991) [5] A.I. Liechtenstein,V.I. Anisimov and J. Zaanen, DFT and strong interactions: Orbital ordering in Mott-Hubbard insulators, Physical Review B 52, 5467 (1995) [6] C. Tablero, Representations of the occupation number matrix on the LDA/GGA+U method, J. Phys.:Condensed Matter 20, 325205 [7] M. Cococcioni and S. Gironcoli, Linear response approach to the calculation of the effective interaction parameters in LDA+U method, Physical Review B 71, 035105 (2005) [8] R.E. Sparks, V.M. García-Suárez, D.Zs. Manrique and C.J. Lambert, Quantum interference in single molecule electronic systems, Physical Review B 83, 075437 (2011) __________________________________________________________________________ Ac magnetic fields coupled to spin qubits Álvaro Gómez León and Gloria Platero Sor Juana Inés de la Cruz, 3, Cantoblanco, 28049, Madrid, Spain Quantum systems coupled to periodic ac electric or magnetic fields present new interesting coherence properties not present in the undriven system. We will show that the presence of an external periodic ac magnetic field applied to a two coupled two-level systems, such as a double quantum dot, is able to induce charge localization, spin locking or both, by tuning the ac field parameters, i.e., the frequency, intensity or phase difference, as well as by tuning its polarization. In contrast with ac electric fields, the possibility of induce dynamical spin locking will allow to freeze the spin projection of the initial state for some values of the parameter space [2,3]. We show how the symmetries of the Hamiltonian in the presence of the driving field influence the quasi-energy spectrum and how they determine the electronic charge and spin dynamics. Finally we discuss how the application of an ac magnetic field to these systems allows to tune the topological properties for both the adiabatic and the non adiabatic regime [4]. Our results generalize those on geometrical phases for the spin by Berry [5] including the spatial degree of freedom and spatial anisotropy for the magnetic field. [1] Charge localization and dynamical spin locking in double quantum dots driven by ac magnetic fields, A. Gómez-León and G. Platero, Phys. Rev. B (Rapid Communications) 84, 121310 (2011). [2] Transport blocking and topological phases using ac magnetic fields, A. Gómez-León and G. Platero, Phys. Rev. B 85, 245319 (2012). [3] Topological phases in adiabatic and nonadiabatic driven systems, A. Gómez-León and G. Platero, Phys. Rev. B 86, 115318 (2012). [4] Quantal Phase Factors Accompanying Adiabatic Changes, M. V. Berry, Proc. R. Soc. Lond. A 392, 45-57 (1984).

Friday<br />

Electron interferometry with a Quantum Point Contact: Effect of electron-electron<br />

interaction and temperature<br />

Andrii Kleshchonok, Geneviève Fleury, Jean-Louis Pichard<br />

Service <strong>de</strong> Physique <strong>de</strong> l’Etat Con<strong>de</strong>nsé, IRAMIS / SPEC, CEA Saclay, 91191 Gif-sur-<br />

Yvette, France<br />

Motivated by experiments recently ma<strong>de</strong> in Harvard [1], Stanford [2], Zurich [3] and Grenoble<br />

[4], we study a simplified mo<strong>de</strong>l for <strong>de</strong>scribing an electron interferometer formed with a<br />

quantum point contact and the <strong>de</strong>pletion region induced by the charged tip of a scanning<br />

gate microscope. The contact is ma<strong>de</strong> of a single site with Hubbard interaction U (An<strong>de</strong>rson<br />

impurity) coupling two semi-infinite square lattices. A local moment [5] can take place in the<br />

contact above the Kondo temperature. We study how this moment can be manipulated when<br />

one scans the tip around the contact. We discuss also how the conductance of this<br />

interferometer <strong>de</strong>pends on the location the tip, on the strength U of the interaction and on the<br />

temperature, in regimes where the Hartree-Fock approximation remains valid [6]. In certain<br />

cases, an enhancement of the interference fringes can be yiel<strong>de</strong>d by an increase of the<br />

temperature [7] or an increase of the strength U of the interaction.<br />

[1] M.A. Topinka, et al. Coherent Branched Flow in a Two-Dimensional Electron Gas, Nature<br />

410 183 (2001)<br />

[2] M. P. Jura, et al. Unexpected features of branched flow through high-mobility twodimensional<br />

electron gases , Nature Physics 3 841-845 (2007)<br />

[3] A. A. Kozikov, et al. Interference of electrons in backscattering through a quantum point<br />

contact, arXiv:1206.1371v1<br />

[4] M. G.Pala , et al. Scanning gate microscopy of quantum rings: effects of an external<br />

magnetic field and of charged <strong>de</strong>fects, Nanotechnology 20, 26 (2009)<br />

[5] An<strong>de</strong>rson P. W. Localized Magnetic States in Metals, Physical Review 124 41-53 (1961)<br />

[6] Tsvelick A. M., Wiegmann P. B. Exact results in the theory of magnetic alloys, Advances<br />

in Physics 32 453 (1983)<br />

[7] About A., Lemarié G., Pichard J.-L. Thermal Enhancement of Interference Effects in<br />

Quantum Point Contacts Phys. Rev. Lett. 106 156810 (2011)<br />

__________________________________________________________________________<br />

Symmetry-induced interference effects in metalloporphyrins wires<br />

R.Ferradás 1,2 , V.M.García-Suárez 1,2,3 and J.Ferrer 1,2,3<br />

1<br />

Departamento <strong>de</strong> Física, Universidad <strong>de</strong> Oviedo, 33007 Oviedo, Spain<br />

2<br />

Nanomaterials and Nanotechnology Research Center, CSIC-Universidad <strong>de</strong> Oviedo, Spain<br />

3<br />

Department of Physics, Lancaster University, Lancaster LA1 4YW, United Kingdom<br />

Organo-metallic molecular structures where a single metallic atom is embed<strong>de</strong>d in the<br />

organic backbone are i<strong>de</strong>al systems to study the effect of strong correlations on their<br />

electronic structure. In this work we calculate the electronic and transport properties of a<br />

series of metalloporphyrin molecules sandwiched by gold electro<strong>de</strong>s using a combination of<br />

<strong>de</strong>nsity functional theory and scattering theory. The impact of strong correlations at the<br />

central metallic atom is gauged by comparing our results obtained using conventional DFT<br />

and DFT+U approaches. The zero bias transport properties may or may not show spinfiltering<br />

behavior, <strong>de</strong>pending on the nature of the d state closest to the Fermi energy. The<br />

type of d state <strong>de</strong>pends on the metallic atom and gives rise to interference effects that<br />

produce different Fano features. The inclusion of the U term opens a gap between the d<br />

states and changes qualitatively the conductance and spin-filtering behavior in some of the

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