Research Activities of Volker Eyert

From Fundamental Questions to Applications: Methods, Mechanisms, Materials

Methods:

• Augmented Spherical Wave Method

  Key publications:
  • V. Eyert,
    Basic notions and applications of the augmented spherical wave method,
    Int. J. Quant. Chem. 77, 1007-1031 (2000).
    
  • V. Eyert,
    The Augmented Spherical Wave Method - A Comprehensive Treatment,
    Lecture Notes in Physics, Vol. 719 (Springer, Heidelberg 2007).

• Iterative Solution of Nonlinear Equation Systems

  Key publication:
  • V. Eyert,
    A comparative study on methods for convergence acceleration of iterative vector sequences,
    J. Comput. Phys. 124,271-285 (1996).
    

• LDA+DMFT

  Key publication:
  • K. Held, I. A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T. Scalettar, T. Pruschke, V. I. Anisimov, D. Vollhardt,
    Realistic investigations of correlated electron systems with LDA+DMFT,
    phys. stat. sol. (b) 243, 2599-2631 (2006).
    

Mechanisms:

• Metal-Insulator Transition

  Key publications:
  • V. Eyert,
    The Metal-Insulator Transitions of VO₂: A Band Theoretical Approach,
    Ann. Phys. (Leipzig) 11, 650-702 (2002) (cond-mat/0210558).
    
  • V. Eyert,
    The Metal-Insulator Transition of NbO₂: An Embedded Peierls Instability,
    Europhys. Lett. 58, 851-856 (2002) (cond-mat/0106137).
    
  • K. Held, G. Keller, V. Eyert, D. Vollhardt, and V. I. Anisimov,
    Mott-Hubbard Metal-Insulator Transition in Paramagnetic V₂O₃: An LDA+DMFT(QMC) Study,
    Phys. Rev. Lett. 86, 5345-5348 (2001) (cond-mat/0011518).
    
  • V. Eyert, U. Schwingenschlögl, and U. Eckern,
    Covalent bonding and hybridization effects in the corundum-type transition-metal oxides V₂O₃ and Ti₂O₃,
    Europhys. Lett. 70, 782-788 (2005); (cond-mat/0504524).
    

• Charge order, orbital order

  Key publications:
  • V. Eyert, U. Schwingenschlögl, and U. Eckern,
    Charge order, orbital order, and electron localization in the Magnéli phase Ti₄O₇,
    Chem. Phys. Lett. 390, 151-156 (2004) (cond-mat/0404059).
    
  • I. Leonov, A. Yaresko, A. N. Antonov, U. Schwingenschlögl, V. Eyert, and V. I. Anisimov,
    Charge order and and spin-singlet pair formation in Ti₄O₇,
    J. Phys.: Cond. Matt. 18, 10955-10964 (2006) (cond-mat/0508378).
    
  • V. Eyert, S. G. Ebbinghaus, and T. Kopp,
    Orbital ordering and spin-ladder formation in La₂RuO₅,
    Phys. Rev. Lett. 96 , 256401 (2006) (4 pages) (cond-mat/0512409).
    

• Heavy-Fermion Behaviour in d-Electron Systems

  Key publication:
  • V. Eyert, K.-H. Höck, S. Horn, A. Loidl, and P. S. Riseborough,
    Electronic structure and magnetic interactions in LiV₂O₄,
    Europhys. Lett. 46, 762-767 (1999) (cond-mat/9906194).
    

Materials:

• Magnéli Phases

  Key publication:
  • U. Schwingenschlögl and V. Eyert,
    The vanadium Magnéli phases V_nO_2n-1,
    Ann. Phys. (Leipzig) 13, 475-510 (2004) (cond-mat/0403689).
    

• Ferromagnetic Semiconductors

  Key publications:
  • V. Eyert and K.-H. Höck,
    Electronic structure, itinerant magnetism and orbital ordering in K₂NiF₄-type compounds,
    J. Phys.: Cond. Matt. 5, 2987-3002 (1993).
    
  • V. Eyert, K.-H. Höck, and P. S. Riseborough,
    The electronic structure of La₂BaCuO₅: A magnetic insulator,
    Europhys. Lett. 31, 385-391 (1995).
    
  • V. Eyert, B. Siberchicot, and M. Verdaguer,
    Magnetism and chemical bonding in the High-T_C molecule-based cyanide magnets CsM[Cr(CN)₆] (M = Mn, Ni) from first principles,
    Phys. Rev. B 56, 8959-8969 (1997).
    
  • S. F. Matar, M. A. Subramanian, V. Eyert, M. Whangbo, and A. Villesuzanne,
    First principles investigation of the electronic structure of La₂MnNiO₆: A room-temperature insulating ferromagnet,
    submitted to Prog. Solid State Chem. (cond-mat/0509431).
    
  • U. Schwingenschlögl and V. Eyert,
    Orbital ordering in the two-dimensional ferromagnetic semiconductor Rb₂CrCl₄,
    J. Magn. Magn. Mat. 310 (2007) (cond-mat/0510307).
    

• Trigonal Magnetic Chain Compounds

  Key publications:
  • V. Eyert, C. Laschinger, T. Kopp, and R. Frésard,
    Extended moment formation and magnetic ordering in the trigonal chain compound Ca₃Co₂O₆,
    Chem. Phys. Lett. 385, 249-254 (2004) (cond-mat/0401004).
    
  • R. Frésard, C. Laschinger, T. Kopp, and V. Eyert,
    The Origin of Magnetic Interactions in Ca₃Co₂O₆,
    Phys. Rev. B 69, 140405(R) (2004) (4 pages) (cond-mat/0309031).
    
  • V. Eyert, U. Schwingenschlögl, C. Hackenberger, T. Kopp, R. Frésard, and U. Eckern,
    Magnetic ordering in trigonal chain compounds,
    submitted to Prog. Solid State Chem. (cond-mat/0509374).
    

• Layered Transition-Metal Dichalcogenides

  Key publications:
  • R. Claessen, R. O. Anderson, G.-H. Gweon, J. W. Allen, W. P. Ellis, C. Janowitz, C. G. Olson, Z. X. Shen, V. Eyert, M. Skibowski, K. Friemelt, E. Bucher, and S. Hüfner,
    Complete band structure determination of the quasi-twodimensional Fermi liquid reference compound TiTe₂,
    Phys. Rev. B 54, 2453-2465 (1996).
    
  • Th. Straub, R. Claessen, P. Steiner, S. Hüfner, V. Eyert, K. Friemelt and E. Bucher,
    Many-body definition of a Fermi surface: Application to angle-resolved photoemission,
    Phys. Rev. B 55, 13473-13478 (1997).
    

• Intercalation Compounds for Battery Systems

  Key publication:
  • T. Schmitt, A. Augustsson, J. Nordgren, L.-C. Duda, J. Höwing, T. Gustafsson, U. Schwingenschlögl, and V. Eyert,
    Electronic Structure of Li Inserted V₆O₁₃ Battery Cathodes: Rigid Band Behavior and Effects of Hybridization,
    Appl. Phys. Lett. 86, 064101 (2005) (3 pages).
    

• Ultrahard Materials

  Key publication:
  • R. Weihrich, V. Eyert, and S. F. Matar,
    Structure and electronic properties of new model dinitride systems: A density functional study of CN₂, SiN₂, and GeN₂,
    Chem. Phys. Lett. 373, 636-641 (2003) (cond-mat/0304502).
    

• f-Electron Systems

  Key publications:
  • V. Eyert and W. Nolting,
    Magnetic-nonmagnetic transitions in intermediate-valence systems,
    Z. Phys. B 64, 341-351 (1986).
  • C. Santos, W. Nolting, and V. Eyert,
    Ferromagnetism and temperature-dependent electronic structure of hcp gadolinium,
    Phys. Rev. B 69, 214412 (2004) (11 pages) (cond-mat/0404472).
    

• Uranium Intermetallics

  Key publications:
  • S. F. Matar, V. Eyert, A. Mavromaras, S. Najm, B. Chevalier and J. Etourneau,
    Chemical bonding and magnetism in the ternary germanides UT₂Ge₂ (T = 3d transition metal) from local spin density functional calculations,
    J. Magn. Magn. Mat. 174, 219-235 (1997).
    
  • S. F. Matar, V. Eyert, S. Najm, B. Chevalier, and J. Etourneau,
    Chemical bonding and magnetism in the ternary germanides HT-UCo₂Ge₂, UGe₃ and U₃Co₄Ge₇ from local spin density functional calculations,
    J. Mat. Chem. 8, 1303-1309 (1998).
    

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