Research Group:

Theory of Strongly Correlated Materials






Frank Lechermann

I. Institut für Theoretische Physik
Universität Hamburg
Jungiusstrasse 9
20355 Hamburg
Tel. : +49-40-42838-7943
Fax.: +49-40-42838-6798
firstname.lastname @




Dr. rer. nat., Physics, University of Stuttgart, 2003
Diploma degree, Physics, University of Stuttgart, 2000

Research Experience

Researcher, I. Institute for Theoretical Physics, University of Hamburg

2015 - 2017
Deputy W2-Professor at Hamburg University of Technology

2007 - 2013
Juniorprofessor, I. Institute for Theoretical Physics, University of Hamburg

2003 - 2006
Postdoctoral position, Centre de Physique Théorique, École Polytechnique, Palaiseau,
and Laboratoire de Physique Théorique de l'Ecole Normale Supérieure, Paris,
in the group of Antoine Georges

2001 - 2002
Visiting scholar, Texas Materials Institute, The University of Texas at Austin,
in the group of Juan M. Sanchez

2000 - 2003
Doctoral thesis, University of Stuttgart and
Max-Planck Institute for Metals Research, Stuttgart

1999 - 2000
Diploma Thesis, University of Stuttgart



Manuscripts on condmat


  • Interplay of charge-transfer and Mott-Hubbard physics approached by an
    efficient combination of self-interaction correction and dynamical mean-field theory

    FL, W. Körner, D. F. Urban and C. Elsässer
    arXiv:1902.07000 (2019)

  • Doping a Bad Metal:
    Origin of Suppression of Metal-Insulator Transition in Non-Stoichiometric VO2

    P. Ganesh, FL, I. Kylanpaa, J. Krogel, P. R. C. Kent and O. Heinonen
    arXiv:1811.01145 (2018)

  • Uncovering the mechanism of the impurity-selective Mott transition in paramagnetic V2O3
    FL, N. Bernstein, I. I. Mazin and R. Valenti
    Phys. Rev. Lett. 121, 106401 (2018)

  • Hidden Mott insulator in metallic PdCrO2
    Phys. Rev. Materials 2, 085004 (2018)

  • Orbital Ordering of the Mobile and Localized Electrons at Oxygen-Deficient LaAlO3/SrTiO3

    A. Chikina, FL, M.-A. Husanu, M. Caputo, C. Cancellieri, X. Wang, T. Schmitt,
    M. Radovic and V. N. Strocov
    ACS Nano 12, 7927 (2018)

  • Multi-orbital nature of the spin fluctuations in Sr2RuO4
    L. Boehnke, P. Werner and FL
    EPL 122, 57001 (2018)

  • The role of non-spherical double counting in DFT+DMFT:
    total energy and structural optimization of pnictide superconductors

    O. Kristanovski, A. Shick, FL and A. I. Lichtenstein
    Phys. Rev. B 97, 201116(R) (2018)

  • Thermopower enhancement from engineering the Na0.7CoO2 interacting fermiology
    via Fe doping

    R. Richter, D. Shopova, W. Xie, A. Weidenkaff and FL
    Adv. Cond. Mat. Phys. 2018, 9725321 (2018)

  • Rigorous symmetry adaptation of multiorbital rotationally invariant slave-boson theory
    with application to Hund's rules physics

    C. Piefke and FL
    Phys. Rev. B 97, 125154 (2018)

  • Oxygen-vacancy driven electron localization and itinerancy in rutile-based TiO2
    FL, W. Heckel, O. Kristanovski and S. Müller
    Phys. Rev. B 95, 195159 (2017)

  • Unconventional electron states in δ-doped SmTiO3
    Sci. Rep. 7, 1565 (2017)

  • Quantum-Many-Body Intermetallics: Phase Stability of Fe3Al and Small-Gap Formation in Fe2VAl
    O. Kristanovski, R. Richter, I. Krivenko, A. I. Lichtenstein and FL
    Phys. Rev. B 95, 045114 (2017)

  • Hubbard band or oxygen vacancy states in the correlated electron metal SrVO3?
    S. Backes, T. C. Rödel, F. Fortuna, E. Frantzeskakis, P. Le Fevre, F. Bertran,
    M. Kobayashi, R. Yukawa, T. Mitsuhashi, M. Kitamura, K. Horiba, H. Kumigashira,
    R. Saint-Martin, A. Fouchet, B. Berini, Y. Dumont, A. J. Kim, FL, H. O. Jeschke,
    M. J. Rozenberg, R. Valenti and A. F. Santander-Syro
    Phys. Rev. B 94, 241110(R) (2016) (Editors' Suggestion)

  • Versatile approach to spin dynamics in correlated electron systems
    M. Behrmann, A. I. Lichtenstein, M. I. Katsnelson and FL
    Phys. Rev. B 94, 165120 (2016)

  • Magnetism, spin texture and in-gap states:
    Atomic specialization at the surface of oxygen-deficient SrTiO3

    M. Altmeyer, H. O. Jeschke, O. Hijano-Cubelos, C. Martins, FL, K. Koepernik,
    A. Santander-Syro, M. J. Rozenberg, R. Valenti and M. Gabay
    Phys. Rev. Lett. 116, 157203 (2016)

  • Electron dichotomy on the SrTiO3 defect surface augmented by many-body effects
    FL, H. O. Jeschke, A. J. Kim, S. Backes and R. Valenti
    Phys. Rev. B 93, 121103(R) (2016)

  • Interface exchange processes in LaAlO3/SrTiO3 induced by oxygen vacancies
    M. Behrmann and FL
    Phys. Rev. B 92, 125148 (2015)

  • Low-Energy Model and Electron-Hole Doping Asymmetry of
    Single-Layer Ruddlesden-Popper Iridates

    A. Hampel, C. Piefke and FL
    Phys. Rev. B 92, 085141 (2015)

  • Towards Mott design by δ-doping of strongly correlated titanates
    FL and M. Obermeyer
    New J. Phys. 17, 043026 (2015)

  • From Hubbard bands to spin-polaron excitations in the doped Mott material NaxCoO2
    A. Wilhelm, FL, H. Hafermann, M. I. Katsnelson and A. I. Lichtenstein
    Phys. Rev. B 91, 155114 (2015)

  • Large-amplitude spin oscillations triggered by nonequilibrium strongly correlated t2g electrons
    M. Behrmann and FL
    Phys. Rev. B 91, 075110 (2015)

  • Hidden spin-orbital hexagonal ordering induced by strong correlations in LiVS2
    L. Boehnke, A. I. Lichtenstein, M. I. Katsnelson and FL
    arXiv:1407.4795 (2014)

  • Effect of chromium doping on the correlated electronic structure of V2O3
    D. Grieger and FL
    Phys. Rev. B 90, 115115 (2014)

  • Electron correlation and magnetism at the LaAlO3/SrTiO3 interface: A DFT+DMFT investigation
    FL, L. Boehnke, D. Grieger and C. Piefke
    Phys. Rev. B 90, 085125 (2014)

  • Theoretical prediction of a strongly correlated Dirac metal
    I. I. Mazin, H. O. Jeschke, FL, H. Lee, M. Fink, R. Thomale and R. Valenti
    Nat. Commun. 5, 4261 (2014)

  • Extended dynamic Mott-transition in the two-band Hubbard model out of equilibrium
    M. Behrmann, M. Fabrizio and FL
    Phys. Rev. B 88, 035116 (2013)

  • Formation of orbital-selective electron states in LaTiO3/SrTiO3 superlattices
    FL, L. Boehnke and D. Grieger
    Phys. Rev. B 87, 241101(R) (2013)

  • Approaching finite-temperature phase diagrams of strongly correlated materials:
    A case study for V2O3

    D. Grieger, C. Piefke, O. E. Peil and FL
    Phys. Rev. B 86, 155121 (2012) (Editors' Suggestion)

  • Multiorbital physics in Fermi liquids prone to magnetic order
    M. Behrmann, C. Piefke and FL
    Phys. Rev. B 86, 045130 (2012)

  • Impact of the Dzyaloshinskii-Moriya interaction in strongly correlated itinerant systems
    S. Schuwalow, C. Piefke and FL
    Phys. Rev. B 85, 205132 (2012)

  • Competing orders in NaxCoO2 from strong correlations on a two-particle level
    L. Boehnke and FL
    Phys. Rev. B 85, 115128 (2012)

  • Strong Correlations Enhanced by Charge Ordering in Highly Doped Cobaltates
    O. E. Peil, A. Georges and FL
    Phys. Rev. Lett. 107, 236404 (2011)

  • Orthogonal polynomial representation of imaginary-time Green's functions
    L. Boehnke, H. Hafermann, M. Ferrero, FL and O. Parcollet
    Phys. Rev. B 84, 075145 (2011) (Editors' Suggestion)

  • LDA+slave-boson approach to the correlated electronic structure
    of the metamagnetic bilayer ruthenate Sr3Ru2O7

    C. Piefke and FL
    phys. status solidi (b) 248, 2269 (2011)

  • General DFT++ method implemented with projector augmented waves:
    electronic structure of SrVO3 and the Mott transition in Ca2-xSrxRuO4

    M. Karolak, T. O. Wehling, FL and A. I. Lichtenstein
    Journal of Physics: Condensed Matter 23, 085601 (2011)

  • Detecting excitation and magnetization of individual dopants in a semiconductor
    A. K. Khajetoorians, B. Chilian, J. Wiebe, S. Schuwalow, FL and R. Wiesendanger
    Nature 467, 1084 (2010)

  • Considerable nonlocal electronic correlations in strongly doped NaxCoO2
    C. Piefke, L. Boehnke, A. Georges and FL
    Phys. Rev. B 82, 165118 (2010)

  • Realistic modeling of the electronic structure and the effect of correlations
    for Sn/Si(111) and Sn/Ge(111) surfaces

    S. Schuwalow, D. Grieger and FL
    Phys. Rev. B 82, 035116 (2010)

  • Electronic correlations in vanadium chalcogenides: BaVSe3 versus BaVS3
    D. Grieger, L. Boehnke and FL
    Journal of Physics: Condensed Matter 22, 275601 (2010)

  • Nature of the Mott Transition in Ca2RuO4
    E. Gorelov, M. Karolak, T.O. Wehling, FL, A.I. Lichtenstein and E. Pavarini
    Phys. Rev. Lett. 104, 226401 (2010)

  • Correlation Effects on the Doped Triangular Lattice in View of the Physics of Sodium-Rich NaxCoO2
    Phys. Rev. Lett. 102, 046403 (2009)

  • Plane-wave based electronic structure calculations for correlated materials
    using dynamical mean-field theory and projected local orbitals

    B. Amadon, FL, A. Georges, F. Jollet, T.O. Wehling and A.I. Lichtenstein
    Phys. Rev. B 77, 205112 (2008) (Editors' Suggestion)

  • Rotationally invariant slave-boson formalism and momentum dependence of the quasiparticle weight
    FL, A. Georges, G. Kotliar and O. Parcollet
    Phys. Rev. B 76, 155102 (2007)

  • Competing itinerant and localized states in strongly correlated BaVS3
    FL, S. Biermann, and A. Georges
    Phys. Rev. B 76, 085101 (2007)

  • Dynamical mean-field theory using Wannier functions:
    a flexible route to electronic structure calculations of strongly correlated materials

    FL, A. Georges, A. Poteryaev, S. Biermann, M. Posternak, A. Yamasaki, and O.K. Andersen
    Phys. Rev. B 74, 125120 (2006)

  • First-principles investigation of the Ni-Fe-Al system
    FL, M. Fähnle, and J.M. Sanchez
    Intermetallics 13 (10), 1096 (2005)

  • Importance of interorbital charge transfers for the metal-to-insulator transition of BaVS3
    FL, S. Biermann, and A. Georges
    Phys. Rev. Lett. 94, 166402 (2005)

  • Thermodynamic properties from ab-initio calculations:
    New theoretical developments, and applications to various materials systems

    M. Fähnle, R. Drautz, FL, R. Singer, A. Diaz-Ortiz, and H. Dosch
    phys. stat. sol. (b) 242(6), 1159 (2005)

  • Electronic correlations, magnetism, and structure of Fe-Al subsystems: An LDA+U study
    FL, M. Fähnle, B. Meyer, and C. Elsässer
    Phys. Rev. B 69, 165116 (2004)

  • Ab-initio statistical mechanics for ordered compounds:
    single-defect theory vs. cluster-expansion techniques

    R. Drautz, I. Schultz, FL, and M. Fähnle
    phys. stat. sol. (b) 240(1), 37 (2003)

  • Density-functional study of Fe3Al: LSDA versus GGA
    FL, F. Welsch, C. Elsässer, C. Ederer, M. Fähnle, J.M. Sanchez, and B. Meyer
    Phys. Rev. B 65, 132104 (2002)

  • Ab-initio statistical mechanics for the phase diagram of NiAl including the effect of vacancies
    FL and M. Fähnle
    phys. stat. sol. (b) 224(2), R4 (2001)

  • Ab-initio statistical mechanics for alloy phase diagrams and ordering phenomena
    including the effect of vacancies

    FL and M. Fähnle
    Phys. Rev. B 63, 012104 (2000)

    Book chapters, Conference Proceedings and other contributions

  • Oxide Heterostructures from a Realistic Many-Body Perspective
    in Handbook of Materials Modeling. Springer, Cham (2018)
    edited by Andreoni W., Yip S.

  • First-Principles Many-Body Investigation of Correlated Oxide Heterostructures:
    Few-Layer-Doped SmTiO3

    in NIC Series 49, 273 (2018)
    edited by Kurt Binder, Marcus Müller, Alexander Trautmann

  • Influence of oxygen vacancies on two-dimensional electron systems
    at SrTiO3-based interfaces and surfaces

    M. Sing, H. O. Jeschke, FL, R. Valenti, R. Claessen
    Eur. Phys. J. Spec. Top. 226, 2457 (2017)

  • Realistic many-body approaches to materials with strong nonlocal correlations
    FL, A. I. Lichtenstein and M. Potthoff
    Eur. Phys. J. Spec. Top. 226, 2591 (2017)

  • Getting back to NaxCoO2: spectral and thermoelectric properties
    L. Boehnke and FL
    phys. stat. sol. (a) 211, 1267 (2014)

  • Strong Electronic Correlations: Dynamical Mean-Field Theory and Beyond
    H. Hafermann, FL, A. N. Rubtsov, M. I. Katsnelson, A. Georges and A. I. Lichtenstein
    in Modern Theories of Many-Particle Systems in Condensed Matter Physics
    D. C. Cabra, A. Honecker and P. Pujol (eds), Lecture Notes in Physics 843, Springer (2012)

  • Model Hamiltonians and Basic Techniques
    in The LDA+DMFT approach to strongly correlated materials
    E. Pavarini, E. Koch, D. Vollhardt and A. I. Lichtenstein (eds),
    Lecture Notes of the Autumn School 2011 Hands-on LDA+DMFT (2011)

  • Interorbital charge transfers and Fermi-surface deformations in
    strongly correlated metals: models, BaVS3 and NaxCoO2

    FL, S. Biermann, and A. Georges
    Progress of Theoretical Physics Supplement 160, 233 (2005)

  • First-Principles Atomistic Modeling of Ordering Phenomena and Phase Diagrams
    M. Fähnle, R. Drautz, FL, R. Singer, A. Diaz-Ortiz, and H. Dosch
    TMS Letters 2, 7 (2005)