Publications of Volker Eyert

see also: ResearcherID, Google Scholar, arXiv.org Search Results

1. V. Eyert and W. Nolting,
   Magnetic-nonmagnetic transitions in intermediate-valence systems,
   Z. Phys. B 64, 341-351 (1986).
2. V. Eyert and W. Nolting,
   Influence of valence instabilities on the Curie-temperature of ferromagnetic 4f-systems,
   Solid State Commun. 60, 905-911 (1986).
3. W. Nolting, V. Eyert, and A. Ramakanth,
   Ferromagnetic order in 4f-systems with valence instabilities,
   in: Theoretical and Experimental Aspects of Valence Fluctuations and Heavy Fermions,
   edited by L. C. Gupta and S. K. Malik (Plenum Press, 1987), pp. 597-599.
4. V. Eyert, J. Sticht, and J. Kübler,
   Itinerant magnetism in K₂NiF₄-type compounds,
   Helv. Phys. Acta 61, 496-504 (1988).
5. J. Kübler, V. Eyert, and J. Sticht,
   Itinerant magnetism in K₂NiF₄-type compounds,
   Physica C 153-155, 1237-1238 (1988).
6. G. Bulk, V. Eyert, and W. Nolting,
   Ferro- and antiferromagnetism in 4f-systems with valence instabilities,
   J. Phys. Colloques 49, C8-707-C8-708 (1988).
7. V. Eyert,
   Entwicklung und Implementation eines Full-Potential-ASW-Verfahrens,
   Ph.D. thesis, Technische Hochschule Darmstadt, 1991.
8. J. Kübler and V. Eyert,
   Electronic structure calculations,
   in: Electronic and Magnetic Properties of Metals and Ceramics,
   edited by K. H. J. Buschow (VCH Verlagsgesellschaft, Weinheim 1992), pp. 1-145;
   Volume 3A of Materials Science and Technology - A Comprehensive Treatment,
   edited by R. W. Cahn, P. Haasen, and E. J. Kramer (VCH Verlagsgesellschaft, Weinheim 1991-1996).
9. P. C. Schmidt, D. Stahl, B. Eisenmann, R. Kniep, V. Eyert, and J. Kübler,
   Electronic structure of the layered compounds K[SnSb], K[SnAs] and Sr[Sn₂As₂],
   J. Solid State Chem. 97, 93-104 (1992).
10. S. Matar, G. Demazeau, J. Sticht, V. Eyert, and J. Kübler,
    Etude de la structure électronique et magnétique de CrO₂,
    J. Phys. I France 2, 315-328 (1992); J. Phys. I France 4, 1259 (1994).
11. N. Jansen, H. Spiering, P. Gütlich, D. Stahl, R. Kniep, V. Eyert, J. Kübler, and P. C. Schmidt,
    Mößbauer-Spektroskopie und Elektronenstrukturberechnungen an Nitridoferraten (III): Li₃[FeN₂] und Ba₃[FeN₃],
    Angew. Chem. 104, 1632-1634 (1992); Angew. Chem. Int. Ed. Engl. 31, 1624 (1992).
12. 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).
    
13. S. Matar, V. Eyert, J. Sticht, J. Kübler, and G. Demazeau,
    Band theoretical investigation of substituted CrO₂ within the local density approximation,
    J. Phys. I France 4, 1199-1215 (1994).
14. S. Matar, G. Demazeau, P. Mohn, V. Eyert, and S. Najm,
    Band theoretical investigation of the magnetic structure of the perovskite system SrFeO₃,
    Eur. J. Solid State Inorg. Chem. 31, 615-629 (1994).
    
15. G. Demazeau, J. P. Sanchez, J. H. Choy, S. F. Matar, V. Eyert, J. Kübler, and F. Okino,
    Cr_1-xIr_xO₂ (0 < x < 0.3), a ferromagnetic material with high coercivity,
    J. Magn. Magn. Mat. 140-144, 165-166 (1995).
    
16. V. Eyert, K.-H. Höck, and P. S. Riseborough,
    The electronic structure of La₂BaCuO₅: A magnetic insulator,
    Europhys. Lett. 31, 385-391 (1995).
    
17. O. Gunnarsson, A. I. Liechtenstein, V. Eyert, M. Knupfer, J. Fink, and J. F. Armbruster,
    Plasmon damping and dispersion in doped C₆₀ compounds,
    in: Physics and Chemistry of Fullerenes and Derivatives,
    edited by H. Kuzmany, J. Fink, M. Mehring, and S. Roth (World Scientific, Singapore, 1995), pp. 402-407.
18. V. Eyert,
    A comparative study on methods for convergence acceleration of iterative vector sequences,
    J. Comput. Phys. 124, 271-285 (1996).
    
19. O. Gunnarsson, A. I. Liechtenstein, V. Eyert, M. Knupfer, J. Fink and J. F. Armbruster,
    Plasmon dispersion and broadening in A₃C₆₀ (A=K, Rb),
    Phys. Rev. B 53, 3455-3458 (1996).
    
20. O. Gunnarsson, V. Eyert, M. Knupfer, J. Fink, and J. F. Armbruster,
    Plasmon dispersion in A₃C₆₀ (A=K, Rb),
    J. Phys.: Cond. Matt. 8, 2557-2569 (1996).
    
21. 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).
    
22. S. F. Matar, V. Eyert, B. Chevalier, and J. Etourneau,
    Local density functional calculations of the electronic structures of the intermetallic systems U₂Fe₂Sn and UFe₂Ge₂,
    Int. J. Quant. Chem. 61, 705-709 (1997).
    
23. S. F. Matar and V. Eyert,
    Chemical bonding and magnetism in the equiatomic intermetallic system UCoSn from first principles,
    J. Magn. Magn. Mat. 166, 321-328 (1997).
    
24. R. Claessen, Th. Straub, P. Steiner, S. Hüfner, V. Eyert, R. O. Anderson, J. W. Allen, C. Janowitz, and C. G. Olson,
    Angle-resolved photoelectron spectroscopy on the Fermi liquid reference compound TiTe₂,
    Physica B 230-232, 294-296 (1997).
    
25. 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).
    
26. E. Oldekop, V. Eyert, F. Niedermeyer, M. Wienecke, and W.-D. Zeitz,
    The behaviour of ¹²B in CdTe studied with β-NMR techniques,
    Mat. Sci. Forum 248-249, 267-270 (1997).
    
27. V. Eyert,
    Electronic structure calculations for crystalline materials,
    in: Density Functional Methods: Applications in Chemistry and Materials Science,
    edited by M. Springborg (Wiley, Chichester 1997), pp. 233-304.
28. 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).
    
29. 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).
    
30. J. van den Brink, O. Gunnarsson, and V. Eyert,
    Optical conductivity in A₃C₆₀ (A=K, Rb),
    Phys. Rev. B 57, 2163-2167 (1998) (arXiv: cond-mat/9703186).
    
31. V. Eyert, K.-H. Höck, S. Fiechter, and H. Tributsch,
    Electronic structure of FeS₂: The crucial role of electron-lattice interaction,
    Phys. Rev. B 57, 6350-6359 (1998).
    
32. 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).
    
33. V. Eyert and K.-H. Höck,
    The electronic structure of V₂O₅ : Role of octahedral deformations,
    Phys. Rev. B 57, 12727-12737 (1998).
    
34. V. Eyert,
    Octahedral Deformations and Metal-Insulator Transition in Transition Metal Chalcogenides,
    Habilitation thesis, Universität Augsburg, 1998.
    Full Text (with Figures): Postscript File (13487kB), gzipped Postscript File (2634kB)
    
35. K. C. Mishra, B. G. DeBoer, P. C. Schmidt, I. Osterloh, M. Stephan, V. Eyert, and K. H. Johnson,
    Electronic Structures and Nature of Host Excitation in Borates,
    Ber. Bunsenges. Phys. Chem. 102, 1772-1782 (1998).
    
36. K. Büker, S. Fiechter, V. Eyert, and H. Tributsch,
    Photoelectrochemistry of highly Zn-doped pyrite as compared with isostructural FeS₂,
    J. Electrochem. Soc. 146, 261-265 (1999).
    
37. S. Rex, V. Eyert, and W. Nolting,
    Temperature-dependent quasiparticle bandstructure of ferromagnetic gadolinium,
    J. Magn. Magn. Mat. 192, 529-542 (1999).
    
38. M. Fieber-Erdmann, H. Rossner, E. Holub-Krappe, V. Eyert, I. Luck and R. Scheer,
    Structural properties of Zn_2-2x(CuIn)_xS₂ (x ≤ 1) solid solution thin films obtained by EXAFS,
    J. Synch. Rad. 6, 474-476 (1999).
    
39. 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) (arXiv: cond-mat/9906194).
    
40. J. E. Han, O. Gunnarsson, and V. Eyert,
    Phonon line shape in disordered A₃C₆₀ (A=K, Rb),
    Phys. Rev. B 60, 6495-6501 (1999) (arXiv: cond-mat/9902191).
    
41. P. C. Schmidt, V. Eyert, J. Sticht, and K. C. Mishra,
    Host Excitation and Luminescence in Large Band Gap Oxides,
    in: Luminescent Materials,
    edited by J. McKittrick, A. Kitai, K. Mishra, C. Ronda, and B. DiBartolo,
    Mat. Res. Soc. Symp. Proc. 560, 323-334 (1999).
    
42. V. Eyert,
    Basic notions and applications of the augmented spherical wave method,
    Int. J. Quant. Chem. 77, 1007-1031 (2000); invited.
    
43. V. Eyert, R. Horny, K.-H. Höck, and S. Horn,
    Embedded Peierls instability and the electronic structure of MoO₂,
    J. Phys.: Cond. Matt. 12, 4923-4946 (2000).
    
44. J. Augustin, V. Eyert, Th. Böker, W. Frentrup, H. Dwelk, C. Janowitz and R. Manzke,
    Electronic band structure of the layered compound Td-WTe₂,
    Phys. Rev. B 62, 10812-10823 (2000).
    
45. V. Eyert and U. Eckern,
    Bandstruktur - Von der Quantenmechanik zum Materialdesign,
    Physik in unserer Zeit 31, 276-282 (2000).
    
46. A. Klein, S. Tiefenbacher, V. Eyert, C. Pettenkofer, and W. Jaegermann,
    Electronic properties of WS₂ monolayer films,
    Thin Solid Films 380, 221-223 (2000).
    
47. I. Luck, V. Eyert, M. Fieber-Erdmann, E. Holub-Krappe, and R. Scheer,
    Investigations on the Emergence of the Bandgap Anomaly between II-VI and their analogous I-III-VI₂ Compounds on the Basis of the Zn_2-2xCu_xIn_xS₂ Solid Solution System,
    Jap. J. Appl. Phys. 39-1, 164-165 (2000).
    
48. S. F. Matar, F. Grasset, V. Eyert, and J. Etourneau,
    Local Spin Density Functional Investigation of the High Pressure Phase of Iron Monoxide,
    in: Ferrites: Proceedings of the 8th International Conference on Ferrites (ICF 8),
    edited by M. Abe and Y. Yamazaki,
    (The Japan Society of Powder and Powder Metallurgy, 2000), pp. 290-292.
    
49. 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) (arXiv: cond-mat/0011518).
    
50. S. F. Matar, V. Eyert, and J. Etourneau,
    Investigation of the bonding and magnetic properties of U₃Cu₄Ge₄ and structurally related systems,
    Int. J. Inorg. Mater. 3, 227-232 (2001).
    
51. H. Tributsch, M. Bron, M. Hilgendorff, H. Schulenburg, I. Dorbandt, V. Eyert, P. Bogdanoff, and S. Fiechter,
    Methanol-resistant cathodic oxygen reduction catalysts for methanol fuel cell,
    J. Appl. Electrochem. 31, 739-748 (2001).
    
52. E. Rupp, F. Nowak, S. Fiechter, G. Reck, V. Eyert, N. Alonso-Vante, and H. Tributsch,
    A New Cubane-Type Ru₄(CO)₁₂(μ₃-Se)₄ Tetramer Tailored for Water Photooxidation Catalysis,
    Eur. J. Inorg. Chem. 2001, 2489-2495 (2001).
    
53. P. C. Schmidt, J. Sticht, M. Stephan, V. Eyert, and K. C. Mishra,
    Electronic Structures and Nature of Host Excitation in Gallates,
    in: Luminescence and Luminescent Materials,
    edited by K. C. Mishra, J. McKittrick, B. DiBartolo, A. Srivastava, and P. C. Schmidt,
    Mat. Res. Soc. Symp. Proc. 667, G1.2.1-G1.2.6 (2001).
    
54. A. Klein, S. Tiefenbacher, V. Eyert, C. Pettenkofer, and W. Jaegermann,
    Electronic band structure of single crystal and single layer WS₂: Influence of interlayer van der Waals-interactions,
    Phys. Rev. B 64, 205416 (2001) (14 pages).
    
55. D. Ehm, F. Reinert, G. Nicolay, S. Schmidt, S. Hüfner, R. Claessen, V. Eyert, and C. Geibel,
    Band structure of CeNi₂Ge₂ investigated by angle-resolved photoemission and density functional calculations,
    Phys. Rev. B 64, 235104 (2001) (10 pages).
    
56. K. Held, I. A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T. Scalettar, T. Pruschke, V. I. Anisimov, D. Vollhardt,
    The LDA+DMFT Approach to Materials with Strong Electronic Correlations,
    in: Quantum Simulations of Complex Many-Body Systems: From Theory to Algorithms,
    edited by J. Grotendorst, D. Marx and A. Muramatsu, in: NIC Series Volume 10 (Forschungszentrum Jülich, 2002), pp. 175-209. (arXiv: cond-mat/0112079).
    
57. V. Eyert,
    The Metal-Insulator Transition of NbO₂: An Embedded Peierls Instability,
    Europhys. Lett. 58, 851-856 (2002) (arXiv: cond-mat/0106137).
    
58. P. Pfalzer, J. Will, A. Nateprov, M. Klemm, V. Eyert, S. Horn, A. I. Frenkel, S. Calvin, and M. L. denBoer,
    Evidence for short range orbital order in paramagnetic insulating (Al,V)₂O₃,
    Phys. Rev. B 66, 085119 (2002) (8 pages) (arXiv: cond-mat/0112016).
    
59. V. Eyert,
    The Metal-Insulator Transitions of VO₂: A Band Theoretical Approach,
    Ann. Phys. (Leipzig) 11, 650-702 (2002) (arXiv: cond-mat/0210558).
    
60. U. Schwingenschlögl, V. Eyert, and U. Eckern,
    From VO₂ to V₂O₃: The Metal-Insulator Transition of the Magnéli Phase V₆O₁₁,
    Europhys. Lett. 61, 361-367 (2003) (arXiv: cond-mat/0211486).
    
61. S. Klimm, D. Ciesla, G. Obermeier, P. Pfalzer, V. Eyert, and S. Horn,
    Electronic and magnetic phase transitions in quasi one-dimensional beta-Na_1/3V₂O₅ under pressure,
    Acta Phys. Pol. B 34, 819-822 (2003).
    
62. U. Schwingenschlögl, V. Eyert, and U. Eckern,
    Octahedral tilting in ACu₃Ru₄O₁₂ (A=Na, Ca, Sr, La, Nd),
    Chem. Phys. Lett. 370, 719-724 (2003) (arXiv: cond-mat/0302240).
    
63. 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,
    Scientific Highlight of the Month, Ψ_k Newsletter 56, 65-103 (2003) (pdf).
    
64. S.-K. Mo, J. D. Denlinger, H.-D. Kim, J.-H. Park, J. W. Allen, A. Sekiyama, A. Yamasaki, K. Kadono, S. Suga, Y. Saitoh, T. Muro, P. Metcalf, G. Keller, K. Held, V. Eyert, V. I. Anisimov, and D. Vollhardt,
    Prominent quasi-particle peak in the photoemission spectrum of the metallic phase of V₂O₃,
    Phys. Rev. Lett. 90, 186403 (2003) (4 pages) (arXiv: cond-mat/0212110).
    
65. R. Weihrich, S. F. Matar, E. Betranhandy, and V. Eyert,
    A model study for the breaking of N₂ from CN_x within DFT,
    Solid State Sciences 5, 701-703 (2003).
    
66. 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) (arXiv: cond-mat/0304502).
    
67. K. Held, V. I. Anisimov, V. Eyert, G. Keller, A. K. McMahan, I. A. Nekrasov, and D. Vollhardt,
    LDA+DMFT investigations of transition metal oxides and f-electron materials,
    Adv. Solid State Phys. 43, 267-283 (2003).
    
68. S. F. Matar, B. Chevalier, V. Eyert, and J. Etourneau,
    Chemical pressure and hydrogen insertion effects in CeNiIn,
    Solid State Sciences 5, 1385-1393 (2003).
    
69. U. Schwingenschlögl, V. Eyert, and U. Eckern,
    The Metal-Insulator Transition of the Magnéli phase V₄O₇: Implications for V₂O₃
    Europhys. Lett. 64, 682-688 (2003) (arXiv: cond-mat/0309483).
    
70. 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) (arXiv: cond-mat/0401004).
    
71. 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) (arXiv: cond-mat/0309031).
    
72. 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) (arXiv: cond-mat/0404059).
    
73. C. Santos, V. Eyert, and W. Nolting,
    Ferromagnetism and temperature-dependent electronic structure of hcp gadolinium,
    J. Magn. Magn. Mat. 272-276, E371-E372 (2004).
    
74. C. Laschinger, T. Kopp, V. Eyert, and R. Frésard,
    Microscopic Derivation of Magnetic Coupling in Ca₃Co₂O₆,
    J. Magn. Magn. Mat. 272-276, 974-975 (2004) (arXiv: cond-mat/0310500).
    
75. C. Santos, W. Nolting, and V. Eyert,
    Ferromagnetism and temperature-dependent electronic structure of hcp gadolinium,
    Phys. Rev. B 69, 214412 (2004) (11 pages) (arXiv: cond-mat/0404472).
    
76. U. Schwingenschlögl and V. Eyert,
    The vanadium Magnéli phases V_nO_2n-1,
    Ann. Phys. (Leipzig) 13, 475-510 (2004) (arXiv: cond-mat/0403689).
    
77. G. Keller, K. Held, V. Eyert, D. Vollhardt, and V. I. Anisimov,
    Electronic structure of paramagnetic V₂O₃: strongly correlated metallic and Mott insulating phase,
    Phys. Rev. B 70, 205116 (2004) (14 pages) (arXiv: cond-mat/0402133).
    
78. 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).
    
79. K. Held, J. W. Allen, V. I. Anisimov, V. Eyert, G. Keller, H.-D. Kim, S.-K. Mo, and D. Vollhardt,
    Two Aspects of the Mott-Hubbard Transition in Cr-doped V₂O₃,
    Physica B 359-361, 642-644 (2005) (arXiv: cond-mat/0407787).
    
80. 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); (arXiv: cond-mat/0504524).
    
81. S. F. Matar, R. Weihrich, D. Kurowski, A. Pfitzner, and V. Eyert,
    The electronic structure of the antiferromagnetic semiconductor MnSb₂S₄,
    Phys. Rev. B 71, 235207 (2005) (9 pages) (arXiv: cond-mat/0504669).
    
82. M. Stephan, M. Zachau, M. Gröting, O. Karplak, V. Eyert, K. C. Mishra, and P. C. Schmidt,
    A theoretical investigation of 4f-5d transition of trivalent rare earth ions in fluorides and complex oxides,
    J. Lumin. 114, 255-266 (2005).
    
83. G. Keller, K. Held, V. Eyert, V. I. Anisimov, K. Byczuk, M. Kollar, I. Leonov, X. Ren, and D. Vollhardt,
    Realistic Modeling of Materials with Strongly Correlated Electrons,
    in: NIC Symposium 2006,
    edited by G. Münster, D. Wolf, and M. Kremer, in: NIC Series Volume 32 (Forschungszentrum Jülich, 2006), pp. 183-190.
84. R. Miller, E.-W. Scheidt, G. Eickerling, C. Helbig, F. Mayr, R. Herrmann, W. Scherer, H.-A. Krug von Nidda, V. Eyert, and P. Schwab,
    poly-methyltrioxorhenium {(CH₃)_0.92ReO₃}_∞: A conducting two-dimensional organometallic oxide,
    Phys. Rev. B 73, 165113 (2006) (14 pages) (arXiv: cond-mat/0512544).
    
85. S. F. Matar, V. Siruguri, and V. Eyert,
    Magnetic ground state of UCu₂X₂ (X = Si, Ge) from first principles,
    J. Magn. Magn. Mat. 305, 264-268 (2006).
    
86. V. Eyert, S. G. Ebbinghaus, and T. Kopp,
    Orbital ordering and spin-ladder formation in La₂RuO₅,
    Phys. Rev. Lett. 96, 256401 (2006) (4 pages) (arXiv: cond-mat/0512409).
    
87. 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).
    
88. 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) (arXiv: cond-mat/0508378).
    
89. S. F. Matar, M. A. Subramanian, A. Villesuzanne, V. Eyert, and M. Whangbo,
    First principles investigation of the electronic structure of La₂MnNiO₆: An insulating ferromagnet,
    J. Magn. Magn. Mat. 308, 116-119 (2007) (arXiv: cond-mat/0509431).
    
90. V. Eyert, U. Schwingenschlögl, R. Frésard, A. Maignan, C. Martin, N. Nguyen, C. Hackenberger, and T. Kopp,
    The antiferromagnetic insulator Ca₃FeRhO₆: characterization and electronic structure calculations,
    Phys. Rev. B 75, 115105 (2007) (5 pages) (arXiv: cond-mat/0610120).
    
91. U. Schwingenschlögl and V. Eyert,
    Orbital ordering in the two-dimensional ferromagnetic semiconductor Rb₂CrCl₄,
    J. Magn. Magn. Mat. 312, L11-L15 (2007) (arXiv: cond-mat/0510307).
    
92. R. Weihrich, S. F. Matar, V. Eyert, F. Rau, M. Zabel, M. Andratschke, I. Anusca, and T. Bernert,
    Structure, ordering and bonding in half antiperovskites: PbNi_3/2S and BiPd_3/2S,
    Prog. Solid State Chem. 35, 309-327 (2007).
    
93. V. Eyert and S. G. Ebbinghaus,
    Orbital ordering and possible spin-Peierls transition in La₂RuO₅,
    Prog. Solid State Chem. 35, 433-438 (2007).
    
94. V. Eyert,
    The Augmented Spherical Wave Method - A Comprehensive Treatment,
    1st Edition, Lect. Notes Phys. 719 (Springer, Berlin Heidelberg 2007).
95. B. Rohrmoser, G. Eickerling, M. Presnitz, W. Scherer, V. Eyert, R.-D. Hoffmann, U. Ch. Rodewald, C. Vogt, and R. Pöttgen,
    Experimental Electron Density of the Complex Carbides Sc₃[Fe(C₂)₂] and Sc₃[Co(C₂)₂],
    J. Am. Chem. Soc. 129, 9356-9365 (2007).
    
96. S. F. Matar, V. Eyert, A. Villesuzanne, and M. Whangbo,
    First principles study of the electronic and magnetic structures of the tetragonal and orthorhombic phases of Ca₃Mn₂O₇,
    Phys. Rev. B 76, 054403 (2007) (6 pages) (arXiv: cond-mat/0611150).
    
97. K. C. Mishra, V. Eyert, and P. C. Schmidt,
    A First-Principles Investigation of the Electronic Structure of Trivalent Rare Earth Ions in Gallium Nitride,
    Z. Phys. Chem. 221, 1663-1676 (2007).
    
98. V. Eyert,
    Ordering Phenomena in Transition-Metal Oxides,
    JP J. Solids Struct. 1, 159-164 (2007).
    
99. S. F. Matar, J. F. Riecken, B. Chevalier, R. Pöttgen, A. F. Al Alam, and V. Eyert,
    Electronic and magnetic properties and chemical bonding of CeMSn (M = Rh, Ru) from first principles,
    Phys. Rev. B 76, 174434 (2007) (6 pages) (arXiv: 0708.0188).
    
100. V. Eyert, U. Schwingenschlögl, C. Hackenberger, T. Kopp, R. Frésard, and U. Eckern,
     Magnetic ordering in trigonal chain compounds,
     Prog. Solid State Chem. 36, 151-156 (2008) (arXiv: cond-mat/0509374).
     
101. V. Eyert, R. Frésard, and A. Maignan,
     On the metallic conductivity of the delafossites PdCoO₂ and PtCoO₂ ,
     Chem. Mater. 20, 2370-2373 (2008) (arXiv: 0801.4077).
     
102. V. Eyert, R. Frésard, and A. Maignan,
     Long-range magnetic order and spin-lattice coupling in the delafossite CuFeO₂ ,
     Phys. Rev. B 78, 052402 (2008) (4 pages) (arXiv: 0801.4787).
     
103. V. Eyert, E.-W. Scheidt, W. Scherer, W. Hermes, and R. Pöttgen,
     Magnetic ordering in the static intermediate-valent cerium compound Ce₂RuZn₄,
     Phys. Rev. B 78, 214420 (2008) (5 pages) (arXiv: 0808.2916).
     
104. U. Schwingenschlögl, R. Frésard, and V. Eyert,
     Substrate effects on V₂O₃ thin films,
     Surface Science 603, L19-L21 (2009) (arXiv: 0812.2382).
     
105. D. Fuchs, L. Dieterle, E. Arac, R. Eder, P. Adelmann, V. Eyert, T. Kopp, R. Schneider, D. Gerthsen, and H. von Löhneysen,
     Supression of the ferromagnetic state in LaCoO₃ films by rhombohedral distortion,
     Phys. Rev. B 79, 024424 (2009) (9 pages) (arXiv: 0812.3892).
     
106. J. Moosburger-Will, J. Kündel, M. Klemm, S. Horn, P. Hofmann, U. Schwingenschlögl, and V. Eyert,
     The Fermi surface of MoO₂ as studied by photoelectron spectroscopy, magneto transport measurements, and electronic structure calculations,
     Phys. Rev. B 79, 115113 (2009) (16 pages) (arXiv: 0812.1911).
     
107. A. Maignan, C. Martin, R. Frésard, V. Eyert, E. Guilmeau, S. Hébert, M. Poienar, and D. Pelloquin,
     On the strong impact of doping in the triangular antiferromagnet CuCrO₂,
     Solid State Commun. 149, 962-967 (2009) (arXiv: 0908.3828).
     
108. L. Peyker, C. Gold, E.-W. Scheidt, W. Scherer, J. G. Donath, P. Gegenwart, F. Mayr, V. Eyert, E. Bauer, and H. Michor,
     Evolution of quantum criticality in CeNi_9-xCu_xGe₄,
     J. Phys.: Condens. Matter 21, 235604 (2009) (9 pages) (arXiv: 0812.3309).
     
109. C. Vogt, R.-D. Hoffmann, U. Ch. Rodewald, G. Eickerling, M. Presnitz, V. Eyert, W. Scherer, and R. Pöttgen,
     High- and Low-Temperature Modifications of Sc₃RuC₄ and Sc₃OsC₄ - Relativistic Effects, Structure, and Chemical Bonding,
     Inorg. Chem. 48, 6436-6451 (2009).
     
110. A. Maignan, V. Eyert, C. Martin, R. Frésard, and D. Pelloquin,
     Electronic structure and thermoelectric properties of CuRh_1-xMg_xO₂,
     Phys. Rev. B 80, 115103 (2009) (9 pages) (arXiv: 0908.1901).
     
111. U. Schwingenschlögl, R. Frésard, and V. Eyert,
     Influence of the vacuum interface on the charge distribution in V₂O₃ thin films,
     New J. Phys. 11, 093034 (2009) (9 pages) (arXiv: 0909.1335).
     
112. A. Krimmel, A. Günther, W. Kraetschmer, H. Dekinger, N. Büttgen, V. Eyert, A. Loidl, D. V. Sheptyakov, E.-W. Scheidt, and W. Scherer,
     Intermediate-valent behavior of the transition metal oxide CaCu₃Ru₄O₁₂,
     Phys. Rev. B 80, 121101(R) (2009) (4 pages) (arXiv: 0909.4208).
     
113. W. Scherer, C. Hauf, M. Presnitz, E.-W. Scheidt, G. Eickerling, V. Eyert, R.-D. Hoffmann, U. Ch. Rodewald, A. Hammerschmidt, C. Vogt, and R. Pöttgen,
     Superconductivity in quasi one-dimensional carbides,
     Angew. Chem. Int. Ed. 49, 1578-1582 (2010).
     
114. W. Hermes, U. Ch. Rodewald, B. Chevalier, S. F. Matar, V. Eyert, and R. Pöttgen,
     The Plumbide CeZnPb - Structure, Magnetism, and Chemical Bonding,
     Solid State Sciences 12, 929-937 (2010).
     
115. M. Breitschaft, V. Tinkl, N. Pavlenko, S. Thiel, C. Richter, J. R. Kirtley, Y. C. Liao, G. Hammerl, V. Eyert, T. Kopp, and J. Mannhart,
     Two-Dimensional Electron Liquid State at LaAlO₃/SrTiO₃ Interfaces,
     Phys. Rev. B 81, 153414 (2010) (4 pages) (arXiv: 0907.1176).
     
116. J. Cao, W. Fan, K. Chen, N. Tamura, M. Kunz, V. Eyert, and J. Wu,
     Constant threshold resistivity in the metal-insulator transition of VO₂,
     Phys. Rev. B 82, 241101(R) (2010) (4 pages).
     
117. A. Houari, S. F. Matar, and V. Eyert,
     Seminconducting (Half-Metallic) Ferromagnetism in Mn(Fe) Substituted Pt and Pd Nitrides,
     Phys. Rev. B 82, 241201(R) (2010) (4 pages) (arXiv: 1101.1635).
     
118. H. Wang, V. Eyert, and U. Schwingenschlögl,
     Electronic structure and magnetic ordering of the semiconducting chromium trihalides CrCl₃, CrBr₃, and CrI₃,
     J. Phys.: Condens. Matter 23, 116003 (2011) (8 pages)
119. R. Weihrich, S. F. Matar, I. Anusca, F. Pielnhofer, P. Peter, F. Bachhuber, and V. Eyert,
     Palladium site ordering and the occurrence of superconductivity in Bi₂Pd₃Se_2-xS_x ,
     J. Solid State Chem. 184, 797-804 (2011).
120. V. Eyert,
     VO₂: A novel view from band theory,
     Phys. Rev. Lett. 107, 016401 (2011) (4 pages) (arXiv: 1104.2214).
     
121. U. Heinzmann, H. Dachraoui, N. Müller, C. Oberer, G. Obermeier, S. Horn, and V. Eyert,
     Interplay between electronic correlations and coherent structural dynamics during the insulator-to-metal phase transition in VO₂ studied by means of fs-IR/EUV pump probe core-level photoemission,
     J. Phys.: Conf. Ser. 388, 132016 (2012) (1 page).
     
122. V. Eyert, A. Mavromaras, D. Rigby, W. Wolf, M. Christensen, M. Halls, C. Freeman, P. Saxe, and E. Wimmer,
     Atomistic Simulations of Microelectronic Materials: Prediction of Mechanical, Thermal, and Electric Properties,
     in: Molecular Modeling and Multiscaling Issues for Electronic Material Applications,
     edited by N. Iwamoto, M. M. F. Yuen, and H. Fan (Springer, New York 2012).
123. W. Scherer, G. Eickerling, C. Hauf, M. Presnitz, E.-W. Scheidt, V. Eyert, and R. Pöttgen,
     On the interplay between real and reciprocal space properties,
     in: Modern Charge-Density Analysis,
     edited by C. Gatti and P. Macchi (Springer, Netherlands 2012).
124. K. C. Mishra, M. E. Hannah, A. Piquette, V. Eyert, P. C. Schmidt, and K. H. Johnson,
     First-Principles Investigation of the Luminescence Mechanism of Eu²⁺ in M₂SiO₄:Eu²⁺ (M = Ba, Sr),
     ECS J. Solid State Sci. Techn. 1, R87-R91 (2012).
     
125. V. Eyert,
     The Augmented Spherical Wave Method - A Comprehensive Treatment,
     2nd Edition, Lect. Notes Phys. 849 (Springer, Berlin Heidelberg 2013).
126. F. Cossu, U. Schwingenschlögl, and V. Eyert,
     Metal-insulator transition at the LaAlO₃/SrTiO₃ interface revisited: A hybrid functional study,
     Phys. Rev. B 88, 045119 (2013) (6 pages) (arXiv: 1307.4352).
     
127. M. Christensen, V. Eyert, C. Freeman, E. Wimmer, A. Jain, J. Blatchford, D. Riley, and J. Shaw,
     Formation of nickel-platinum silicides on a silicon substrate: Structure, phase stability, and diffusion from ab initio computations,
     J. Appl. Phys. 114, 033533 (2013) (11 pages) (arXiv: 1308.2605).
     
128. A. France-Lanord, D. Rigby, A. Mavromaras, V. Eyert, P. Saxe, C. Freeman, and E. Wimmer,
     MedeA^®: Atomistic Simulations for Designing and Testing Materials for Micro/Nano Electronic Systems,
     Proceedings of the 15th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2014.
     
129. A. Wimmer, M. Smolka, W. Heinz, T. Detzel, W. Robl, C. Motz, V. Eyert, E. Wimmer, F. Jahnel, R. Treichler, and G. Dehm,
     Temperature dependent transition of intragranular plastic to intergranular brittle failure in electrodeposited Cu micro-tensile samples,
     Mater. Sci. Eng. A 618, 398-405 (2014) .
     
130. A. Houari, S. F. Matar, and V. Eyert,
     Electronic structure and crystal phase stability of palladium hydrides,
     J. Appl. Phys. 116, 173706 (2014) (9 pages) (arXiv: 1411.0542).
     
131. Z. Stanojević, M. Karner, M. Aichhorn, F. Mitterbauer, V. Eyert, C. Kernstock, and H. Kosina,
     Predictive Physical Simulation of III/V Quantum-Well MISFETs for Logic Applications,
     Proceedings of the 45th European Solid State Device Research Conference (ESSDERC), pp. 310-313 (2015).
     
132. Z. Stanojević, O. Baumgartner, V. Eyert, F. Mitterbauer, H. Demel, C. Kernstock, M. Karner, A. France-Lanord, P. Saxe, C. Freeman, and E. Wimmer,
     Physical Modeling - A New Paradigm in Device Simulation,
     Proceedings of the 2015 IEEE International Electron Devices Meeting (IEDM), pp. 5.1.1-5.1.4 (2015).
     
133. E. Wimmer, M. Christensen, V. Eyert, W. Wolf, D. Reith, X. Rozanska, C. Freeman, and P. Saxe,
     Computational Materials Engineering: Recent Applications of VASP in the MedeA^® Software Environment,
     J. Korean Ceram. Soc. 53, 263-272 (2016).
     
134. X. Rozanska, M. Christensen, W. Wolf, V. Eyert, A. Mavromaras, B. Leblanc, C. Freeman, P. Saxe, and E. Wimmer,
     L'apport de la chimie et de la physique théoriques dans la transition vers les énergies renouvelables,
     actual chimique 408-409, 19-23 (2016).
     
135. A. France-Lanord, V. Eyert, A. Mavromaras, R. Tarnovsky, E. Wimmer, C. Freeman, and P. Saxe,
     Thermal Transport in Nanostructured Electronic Materials,
     Proceedings of the 27th Advanced Semiconductor Manufacturing Conference (ASMC), pp. 252-257 (2016).
     
136. I. I. Piyanzina, Yu. V. Lysogorskiy, I. I. Varlamova, A. G. Kiiamov, T. Kopp, V. Eyert, O. V. Nedopekin, and D. A. Tayurskii,
     Analysis of Electronic and Structural Properties of Surfaces and Interfaces Based on LaAlO₃ and SrTiO₃,
     J. Low Temp. Phys. 185, 597-602 (2016) (arXiv: 1601.04009).
     
137. I. I. Piyanzina, T. Kopp, Yu. V. Lysogorskiy, D. A. Tayurskii, and V. Eyert,
     Electronic properties of LaAlO₃/SrTiO₃ n-type interfaces: A GGA+U study,
     J. Phys.: Condens. Matter 29, 095501 (2017) (7 pages) (arXiv: 1607.03945).
     
138. T. Barbier, D. Berthebaud, R. Frésard, O. I. Lebedev, E. Guilmeau, V. Eyert, and A. Maignan,
     Structural and Thermoelectric Properties of n-type Isocubanite CuFe₂S₃ ,
     Inorg. Chem. Front. 4, 424-432 (2017).
     
139. Y. Chen, S. Zhang, F. Ke, C. Ko, S. Lee, K. Liu, B. Chen, J. W. Ager, R. Jeanloz, V. Eyert, and J. Wu,
     Pressure-temperature phase diagram of vanadium dioxide,
     Nano Lett. 17, 2512-2516 (2017) (arXiv: 1703.02477).
     
140. M. Christensen, V. Eyert, A. France-Lanord, C. Freeman, B. Leblanc, A. Mavromaras, S. Mumby, D. Reith, D. Rigby, X. Rozanska, H. Schweiger, T. R. Shan, P. Ungerer, R. Windiks, W. Wolf, M. Yiannourakou, and E. Wimmer,
     Software platforms for electronic/atomistic/mesoscopic modeling: status and perspectives,
     Integr. Mater. Manuf. Innov. 6, 92-110 (2017).
     
141. R. Daou, R. Frésard, V. Eyert, S. Hébert, and A. Maignan,
     Unconventional aspects of electronic transport in delafossite oxides,
     Sci. Techn. Adv. Mat. 18, 919-938 (2017) (arXiv: 1711.07202).
     
142. F. Bisti, V. A. Rogalev, M. Karolak, S. Paul, A. Gupta, T. Schmitt, G. Güntherodt, V. Eyert, G. Sangiovanni, G. Profeta, and V. N. Strocov,
     Weakly-correlated nature of ferromagnetism in nonsymmorphic CrO₂ revealed by bulk-sensitive soft X ray ARPES,
     Phys. Rev. X 7, 041067 (2017) (14 pages) (arXiv: 1607.01703).
     
143. I. I. Piyanzina, V. Eyert, T. Kopp, and D. A. Tayurskii,
     Magnetic properties of LaAlO₃/SrTiO₃ heterostructure modelled on a supercomputer,
     Supercomput. Front. Innov. 5, 88-92 (2018).
     
144. V. Eyert, M. Christensen, W. Wolf, D. Reith, A. Mavromaras, C. Freeman, and E. Wimmer,
     Unraveling the Potential of Density Functional Theory through Integrated Computational Environments: Recent Applications of the Vienna Ab Initio Simulation Package in the MedeA^® Software,
     Computation 6, 63 (2018) (20 pages)
145. A. Houari, S. F. Matar, and V. Eyert,
     Electronic structure and magnetic ordering of NiN and Ni₂N from first principles,
     Electron. Struct. 1, 015002 (2019) (10 pages) (arXiv: 1810.05463).
     
146. I. I. Piyanzina, V. Eyert, Yu. V. Lysogorskiy, D. A. Tayurskii, and T. Kopp,
     Oxygen vacancies and hydrogen doping in LaAlO₃/SrTiO₃ heterostructures: electronic properties and impact on surface and interface reconstruction,
     J. Phys.: Condens. Matter 31, 295601 (2019) (16 pages) (arXiv: 1803.01382).
     
147. S. F. Matar, A. Houari, and V. Eyert,
     Nitrided FeNi: Chemical versus magnetovolume effects from ab initio,
     J. Magn. Magn. Mat. 491, 165555 (2019) (7 pages).
     
148. T. Barbier, B. Srinivasan, D. Berthebaud, V. Eyert, R. Frésard, R. Macaigne, S. Marinel, O. I. Lebedev, E. Guilmeau, and A. Maignan,
     Structural study and evaluation of thermoelectric properties of single-phase isocubanite (CuFe₂S₃) synthesized via an ultra-fast efficient microwave radiation technique,
     Sustain. Energy Fuels 5, 5804-5813 (2021) (arXiv: 2202.09273).
     
149. M. Liyanage, D. Reith, V. Eyert, and W. A. Curtin,
     Machine learning for metallurgy V: A neural-network potential for zirconium,
     Phys. Rev. Materials 6, 063804 (2022).
     
150. S. F. Matar, V. Eyert, and V. L. Solozhenko,
     Novel Ultrahard Extended Hexagonal C₁₀, C₁₄ and C₁₈ Allotropes with Mixed sp²/sp³ Hybridizations: Crystal Chemistry and Ab Initio Investigations,
     C J. Carbon Res. 9, 11 (2023).
     
151. V. Eyert, J. Wormald, W. A. Curtin, and E. Wimmer
     Machine-learned interatomic potentials: Recent developments and prospective applications,
     J. Mater. Res. 38, 5079 (2023).
     Overview article of a Focus Issue on Machine-learned Potentials in Materials Research, J. Mater. Res. 38(24) (2023).
     
152. R. F. Akhmerov, I. I. Piyanzina, O. V. Nedopekin, and V. Eyert,
     A neural-network potential for aluminum,
     Comput. Mater. Sci. 244, 113159 (2024).
     

	Volker Eyert's Homepage	EP VI
Last revision: 08.06.2024
©1998-2024 Volker Eyert	Disclaimer