Electronic Structure and Transport Properties of Correlated Inhomogeneous Systems

L. Chioncel, U. Eckern

Publications

  • A. Droghetti, M. M. Radonjic, L. Chioncel, I. Rungger, Dynamical Mean-Field Theory for spin-dependent electron transport in spin-valve devices, arXiv:2201.13118 (2022) [G7,F6]
  • A. Droghetti, M. M. Radonjic, A. Halder, I. Rungger, L. Chioncel, DFT+$\Sigma_2$ method for electron correlation effects at transition metal surfaces, Phys. Rev. B 105, 115129 (2022) [G7,F6]
  • A. Weh, W. H. Appelt, A. Östlin, L. Chioncel, U. Eckern, Spin-polarization and resonant states in electronic conduction through a correlated magnetic layer, Phys. Status Solidi B 259, 202100157 (2022) [G7]
  • A. Weh, Y. Zhang, A. Östlin, H. Terletska, D. Bauernfeind, K.-M. Tam, H. G. Evertz, K. Byczuk, D. Vollhardt, L. Chioncel, Dynamical mean-field theory of the Anderson-Hubbard model with local and nonlocal disorder in tensor formulation, Phys. Rev. B 104, 045127 (2021) [F6,G7]
  • U. Eckern, K. I. Wysokinski, Charge and heat transport through quantum dots with local and correlated-hopping interactions, Phys. Rev. Research 3, 043003 (2021) [G7]
  • A. Weh, J. Otsuki, L. Chioncel, Finite Temperature Many-body Effects in Half-metallic Ferromagnets, JPS Conf. Proc. 30, 011005 (2020) [G7]
  • M. M. Fadlallah, U. Eckern, Electronic and optical properties of metal-doped TiO$_2$ nanotubes: spintronic and photocatalytic applications, New J. Phys. 22, 093028 (2020) [G7]
  • A. Weh, J. Otsuki, H. Schnait, H. G. Evertz, U. Eckern, A. I. Lichtenstein, L. Chioncel, Spectral properties of heterostructures containing half-metallic ferromagnets in the presence of local many-body correlations, Phys. Rev. Research 2, 043263 (2020) [G7]
  • M. M. Fadlallah, U. Eckern, Cation Mono- and Co-Doped Anatase TiO$_2$ Nanotubes: An Ab Initio Investigation of Electronic and Optical Properties, Phys. Status Solidi B 257, 1900217 (2020) [G7]
  • U. Eckern, K. I. Wysokinski, Two- and three-terminal far-from-equilibrium thermoelectric nano-devices in the Kondo regime, New J. Phys. 22, 013045 (2020) [G7]
  • Z. Wen, Z. Qiu, S. Tölle, C. Gorini, T. Seki, D. Hou, T. Kubota, U. Eckern, E. Saitoh, K. Takanashi, Spin-charge conversion in NiMnSb Heusler alloy films, Sci. Adv. 5, eaaw9337 (2019) [G7]
  • W. H. Appelt, A. Droghetti, L. Chioncel, M. M. Radonjic, E. Muñoz, S. Kirchner, D. Vollhardt, I. Rungger, Predicting the conductance of strongly correlated molecules: the Kondo effect in perchlorotriphenylmethyl/Au junctions, Nanoscale 10, 17738 (2018) [G7,F6]
  • S. Tölle, M. Dzierzawa, U. Eckern, C. Gorini, Quasiclassical theory of the spin-orbit magnetoresistance of three-dimensional Rashba metals, New J. Phys. 20, 103024 (2018) [G7]
  • Q. Dai, U. Eckern, U. Schwingenschlögl, Effects of oxygen vacancies on the electronic structure of the (LaVO$_3$)$_6$/SrVO$_3$ superlattice: a computational study, New J. Phys. 20, 073011 (2018) [G7]
  • Q. Dai, U. Lüders, R. Frésard, U. Eckern, U. Schwingenschlögl, Electronic reconstruction in (LaVO$_3$)$_m$/SrVO$_3$ ($m$ = 5, 6) superlattices, Adv. Mater. Interfaces 5, 1701169 (2018) [G7]
  • G. V. Karnad, et al., Evidence for phonon skew scattering in the spin Hall effect of platinum, Phys. Rev. B 97, 100405(R) (2018) [G7]
  • S. Tölle, M. Dzierzawa, U. Eckern, C. Gorini, Spin Hall magnetoresistance and spin Nernst magnetothermopower in a Rashba system: Role of the inverse spin galvanic effect, Ann. Phys. (Berlin) 530, 1700303 (2018) [G7]

Short Summary

This project is devoted to investigations of the charge and spin transport properties of inhomogeneous systems, in particular, interfaces and heterostructures, in order to elucidate the role of the electron-electron interaction. Technically, theoretical approaches based on non-equilibrium Green's functions are applied. We will consider steady state out-of-equilibrium situations, and solve the corresponding Dynamical Mean Field Theory (DMFT) equations in combination with Density Functional Theory (DFT), for both model systems and realistic heterostuctures.