Full publication list of Prof. Karsten Held

PUBLICATION LIST
(until September 2011)
Prof. Dr. Karsten Held
1. H. Das, G. Sangiovanni, A. Valli, K. Held, and T. Saha-Dasgupta, Size control of
charge-orbital order in half-doped manganite, La0.5Ca0.5Mn3, Phys. Rev. Lett. in
print.
2. A. Toschi, A. A. Katanin, G. Rohringer, and K. Held, Ab initio DΓA]Ab initio calculations
with the dynamical vertex approximation, Annalen der Physik 523, 698
(2011).
3. K.Held,C.Taranto,G.Rohringer,andA.Toschi,HedinEquations,GW,GW+DMFT,
andAllThatin“TheLDA+DMFTapproachtostronglycorrelatedmaterials-Lecture
Notes of the Autumn School 2011 Hands-on LDA+DMFT”; eds: E. Pavarini, E. Koch,
D. Vollhardt, A. Lichtenstein; publisher: FZ Jülich GmbH [arxiv.org/abs/1109.3972].
4. P. Wissgott, A. Toschi, G. Sangiovanni, and K. Held, Effects of electronic correlations
and disorder on the thermopower of NaxCoO2, Phys. Rev. B 84, 085129 (2011).
5. M. Uchida, K. Ishizaka, P. Hansmann, Y. Kaneko, Y. Ishida, X. Yang, R. Kumai,
A. Toschi, Y. Onose, R. Arita, K. Held, O. K. Andersen, S. Shin, and Y. Tokura,
Pseudogap of Metallic Layered Nickelate R2−xSrxNiO4 (R=Nd,Eu) Crystals Measured
Using Angle-Resolved Photoemission Spectroscopy, Phys. Rev. Lett. 106, 027001
(2011).
6. S. Lupi , L. Baldassarre , B. Mansart , A. Perucchi , A. Barinov , P. Dudin , E.
Papalazarou , F. Rodolakis , J. -P. Rueff , J. -P. Itié , S. Ravy , D. Nicoletti , P.
Postorino , P. Hansmann , N. Parragh , A. Toschi , T. Saha-Dasgupta , O. K. Andersen
, G. Sangiovanni , K. Held and M. Marsi, A microscopic view on the Mott transition
in chromium-doped V2O3, Nature Communications 1, 105 (2010).
7. P. Hansmann, A. Toschi, Xiaoping Yang, O. K. Andersen, and K. Held Electronic
structure of nickelates: From two-dimensional heterostructures to three-dimensional
bulk materials, Phys. Rev. B 82, 235123 (2010)
8. D. Nicoletti, O. Limaj, P. Calvani, G. Rohringer, A. Toschi, G. Sangiovanni, M.
Capone, K. Held, S. Ono, Yoichi Ando, and S. Lupi, High-Temperature Optical Spectral
Weight and Fermi-liquid Renormalization in Bi-Based Cuprate Superconductors,
Phys. Rev. Lett., 105, 077002 (2010).
1

9. A. Valli, G. Sangiovanni, O. Gunnarsson, A. Toschi, and K. Held, Dynamical Vertex
Approximation for Nanoscopic Systems, Phys. Rev. Lett. 104, 246402 (2010).
10. P. Hansmann, R. Arita, A. Toschi, S. Sakai, G. Sangiovanni, and K. Held, Dichotomy
between Large Local and Small Ordered Magnetic Moments in Iron-Based Superconductors,
Phys. Rev. Lett., 104, 197002 (2010).
11. F. Rodolakis, P. Hansmann, J.-P. Rueff, A. Toschi, M.W. Haverkort, G. Sangiovanni,
A. Tanaka, T. Saha-Dasgupta, O.K. Andersen, K. Held, M. Sikora, I. Alliot, J.-P.
Iti, F. Baudelet, P. Wzietek, P. Metcalf, and M. Marsi, Inequivalent routes across the
Mott transition in V2O3 explored by X-ray absorption, Phys. Rev. Lett., 104, 047401
(2010).
12. A. Toschi, M. Capone, C. Castellani and K. Held, Comment on Kinks in the Electronic
Specific Heat” Reply , Phys. Rev. Lett. 104, 059704 (2010).
13. P.Wissgott,A.Toschi,H.Usui,K.Kuroki,andK.Held,EnhancementoftheNaxCoO2
thermopower due to electronic correlations, Phys. Rev. B 82, 201106 (2010).
14. Y.-F. Yang and K. Held, Dynamical mean field theory for manganites, Phys. Rev. B
82, 195109 (2010).
15. J. Kunes, R. Arita, P. Wissgott, A. Toschi, H. Ikeda, and K. Held, Wien2wannier:
From linearized augmented plane waves to maximally localized Wannier functions,
Comp. Phys. Comm. 181, 1888 (2010).
16. A. Toschi, P. Hansmann, G. Sangiovanni, T. Saha-Dasgupta, O. K. Andersen and K
Held,SpectralpropertiesoftheMottHubbardinsulator(Cr0.011V0.989)2O3 calculated
by LDA+DMFT, J. Phys.: Conf. Ser. 200 012208 (2010).
17. A. Toschi, M. Capone, C. Castellani, and K. Held Kinks: Fingerprints of strong
electronic correlations J. Phys.: Conf. Ser. 200 012207 (2010).
18. A.A. Katanin, A. Toschi, and K. Held, Comparing pertinent effects of antiferromagnetic
fluctuations in the two and three dimensional Hubbard model, Phys. Rev. B 80,
075104 (2009).
19. P. Hansmann, X. Yang, A. Toschi, G. Khaliullin, O. K. Andersen, and K. Held Turning
a nickelate Fermi surface into a cuprate-like one through heterostructuring, Phys. Rev.
Lett. 103, 016401 (2009).
20. A. Toschi, M. Capone, C. Castellani and K. Held, Kinks in the electronic specific heat,
Phys. Rev. Lett. 102, 076402 (2009).
2

21. A. Perucchi, C. Marini, M. Valentini, P. Postorino, R. Sopracase, P. Dore, P. Hansmann,
O. Jepsen, G. Sangiovanni, A. Toschi, K. Held, D. Topwal, D. D. Sarma, S.
Lupi, “Pressure and alloying effects on the metal to in sulator transition in NiS2−xSex
studied by infrared spectroscopy”, Phys. Rev. B 80, 073101 (2009).
22. F.Rodolakis, P.Hansmann, J.P.Rueff, A.Toschi, M.W.Haverkort, G.Sangiovanni, K.
Held, M. Sikora, A. Congeduti, J.P. Iti, F. Baudelet, P. Metcalf, M. Marsi, Electronic
correlations in V2O3 studied with K-edge X-ray absorption spectroscopy, Journal of
Physics: Conference Series 19, 0012092 (2009).
23. K. Held, R. Arita, V. Anisimov, K. Kuroki, The LDA+DMFT Route to Identify Good
Thermoelectrics in Properties and Applications of Thermoelectric Materials, V. Zlatic,
A. C. Hewson (eds.). The NATO Science for Peace and Security Programme; Springer-
Verlag, 2009, p. 141 - 157.
24. A. Hübel, K. Held, J. Weis and K. v. Klitzing, Correlated electron tunneling through
two separate quantum dot systems with strong capacitive interdot coupling, Phys.
Rev. Lett. 101, 186804 (2008).
25. K. Held, A. Katanin, and A. Toschi, Dynamical vertex approximation – an introduction,
Prog. Theor. Phys. Suppl. 176, 117 (2008).
26. R. Arita, K. Kuroki, K. Held, A. V. Lukoyanov, S. Skornyakov, V. I. Anisimov, Origin
of large thermopower in LiRh2O4: Calculation of the Seebeck coefficient by the combination
of local density approximation and dynamical mean-field theory Phys. Rev.
B 78, 115121 (2008).
27. K. Held, O. K. Andersen, M. Feldbacher, A. Yamasaki, Y.-F. Yang, Bandstructure
meets many-body theory: the LDA + DMFT method, J. Phys. Cond. Matter 20,
064202 (2008).
28. L. Baldassarre, A. Perucchi, D. Nicoletti, A. Toschi, G. Sangiovanni, K. Held, M.
Capone, M. Ortolani, L. Malavasi, M. Marsi, P. Metcalf, P. Postorino, S. Lup i, Quasiparticle
evolution and pseudogap formation in V2O3: An infrared sp ectroscopy study,
Phys. Rev. B 77, 113107 (2008).
29. K. Held, Electronic Structure Calculations using Dynamical Mean Field Theory, Advances
in Physics 56, 829 (2007).
30. R. Arita, K. Held, A.V. Lukoyanov and V.I. Anisimov, Doped Mott insulator as the
origin of heavy Fermion behavior in LiV2O4, Phys. Rev. Lett. 98, 166402 (2007).
31. R. Arita, A. Yamasaki, K. Held, J. Matsuno and K. Kuroki, Sr2(Ba2)VO4 under pres-
3

sure – an orbital switch and potential d 1 superconductor, Phys. Rev. B 75, 174521
(2007).
32. K. Byczuk, M. Kollar, K. Held, Y.-F. Yang, I. A. Nekrasov, Th. Pruschke and D.
Vollhardt, Kinks in the dispersion of strongly correlated electrons, Nature Physics 3,
168 (2007).
33. Y.-F. Yang and K. Held, Localization of strongly correlated electrons as Jahn-Teller
polarons in manganites, Phys. Rev. B 76, 212401 (2007).
34. R. Arita, A. Yamasaki, K. Held, J. Matsuno and K. Kuroki, Design of a d(1)-analogue
of cuprates: Sr2VO4 and Ba2VO4 under pressure, J. Phys.: Condens. Matter Phys.
19, 365204 (2007).
35. A.Toschi,A.A.KataninandK.Held,Dynamicalvertexapproximation-astepbeyond
dynamical mean field theory, Phys. Rev. B 75, 045118 (2007).
36. R. Arita and K. Held, Dynamical cluster approximation study of d- and p-wave pairing
in the Hubbard model at T → 0, J. Magn. Magn. Mater. 310, 645 (2007).
37. A. Yamasaki, M. Feldbacher, Y.-F. Yang, O. K. Andersen and K. Held, Pressureinducedmetal-insulatortransitioninLaMnO3
isnotofMott-Hubbardtype,Phys.Rev.Lett.
96, 166401 (2006).
38. S. Sakai, R. Arita, K. Held and H. Aoki, Quantum Monte Carlo study for multiorbital
systems with preserved spin and orbital rotational symmetry, Phys. Rev. B 74, 155102
(2006).
39. M. Feldbacher, F. F. Assaad and K. Held, Comment on “Projective Quantum Monte
Carlo Method for the Anderson Impurity Model and its Application to Dynamical
Mean Field Theory” Reply, Phys. Rev. Lett. 96, 139702 (2006).
40. G. Sangiovanni, A. Toschi, E. Koch, K. Held, M. Capone, C. Castellani, O. Gunnarsson,
S.-K. Mo, J. W. Allen, H.-D. Kim, A. Sekiyama, A. Yamasaki, S. Suga and P.
Metcalf, Static vs. dynamical mean field theory of Mott antiferromagnets, Phys. Rev.
B 73, 205121 (2006).
41. R. Arita and K. Held, Crossover from d- to p-wave pairing in the t-t’ Hubbard model
at zero tempera ture, Phys. Rev. B 73, 064515 (2006).
42. I. A. Nekrasov, K. Held, G. Keller, D. E. Kondakov, Th. Pruschke, M. Kollar, O. K.
Andersen, V. I. Anisimov and D. Vollhardt, Momentum-resolved spectral functions of
SrVO3 calculated by LDA+DMFT, Ph ys. Rev. B 73, 155112 (2006).
4

43. K. Held, I.A. Nekrasov, G. Keller, V. Eyert, N. Blümer, A. K. McMahan, R. T.
Scalettar, Th. Pruschke, V. I. Anisimov and D. Vollhardt, Realistic investigations
of correlated electron systems with LDA+DMFT, Physica Status Solidi B 243, 2599
(2006).
44. Y.-F. Yang and K. Held, Nonequilibrium transport through parallel double quantum
dots in the Kondo re gime, Phys. Rev. B 72, 235308 (2005).
45. R. Arita and K. Held, Orbital-selective Mott-Hubbard transition in the two-band
Hubbard model, Ph ys. Rev. B 72, 201102 (R) (2005).
46. I. A. Nekrasov, G. Keller, D. E. Kondakov, A. V. Kozhevnikov, Th. Prusc hke, K.
Held, D. Vollhardt and V. I. Anisimov, Comparative study of correlation effects in
CaVO3 and SrVO3, Phys. Rev. B 72, 155106 (2005).
47. D. Vollhardt, K. Held, G. Keller, R. Bulla, Th. Pruschke, I.A. Nekrasov and V. I.
Anisimov, Dynamical Mean-Field Theory and Its Applications to Real Materials, J.
Phys. Soc. Jap. 74, 136 (2005).
48. M.Feldbacher, K.HeldandF.F.Assaad, Mott-HubbardTransitionind = ∞revisited
by Projective Quantum Monte Carlo Simulations, Physica B 359-361, 654 (2005).
49. M. Feldbacher, K. Held and F. F. Assaad, Projective Quantum Monte Carlo Method
fortheAndersonImpurityModelanditsApplicationtoDynamicalMeanFieldTheory,
Phys. Rev. Lett. 93, 136405 (2004).
50. S.-K. Mo, H.-D. Kim, J. W. Allen, G.-H. Gweon, J. D. Denlinger, J.- H. Park,
A. Sekiyama, A. Yamasaki, S. Suga, P. Metcalf and K. Held, Filling of the Mott-
Hubbard gap in the high temperature photoemission spectrum of (V0.972Cr0.028)2O3,
Phys. Rev. Lett. 93, 76404 (2004).
51. 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 Trans ition in Cr-doped V2O3, Physica
B 359-361, 642 (2005).
52. 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).
53. A. Sekiyama, H. Fujiwara, S. Imada, S. Suga, H. Eisaki, S. I. Uchida, K. T akegahara,
H. Harima, Y. Saitoh, I. A. Nekrasov, G. Keller, D. E. Kondakov, A. V .
Kozhevnikov, Th. Pruschke, K. Held, D. Vollhardt and V. I. Anishimov, Mutual ExperimentalandTheoreticalValidationofBulkPhotoemissionSpectraofSr1−xCaxVO3,
5

Phys. Rev. Lett. 93, 156402 (2004).
54. A.K.McMahan, K.HeldandR.T.Scalettar, ThermodynamicandSpectralProperties
ofCompressedCeCalculatedbytheCombinationoftheLocalDensityApproximation
and Dynamical Mean Field Theory, AIP Conf. Proc. 673, 168 (2003).
55. K. Held, V. I. Anisimov, V. Eyert, G. Keller, A. K. McMahan, I. A. Nekras ov and
D. Vollhardt, LDA+DMFT investigations of transition metal oxides and f-electron
materials, Adv. Solid State Phys. 43, 267 (2003).
56. 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).
57. K. Held, E. Eisenberg and B. L. Altshuler, Random matrix theory for closed quantum
dots with weak spin-orbit coupling, Phys. Rev. Lett. 90, 106802 (2003).
58. I. A. Nekrasov, Z. V. Pchelkina, G. Keller, Th. Pruschke, K. Held, A. Krim mel,
D. Vollhardt and V. I. Anisimov, Orbital state and magnetic properties of LiV2O4,
Phys. Rev. B 67, 085111 (2003).
59. A. K. McMahan, K. Held and R. T. Scalettar, Thermodynamic and spectral properties
of compressed Ce calculated by the merger of the local density approximation and
dynamical mean field theory, Phys. Rev. B 67, 075108 (2003).
60. K. Held, E. Eisenberg and B. L. Altshuler, Phase relaxation of one-particle states in
closed quantum dots, Chaos, Solitons and Fractals 16, 417 (2003).
61. K. Held, I. A. Nekrasov, G. Keller, V. Eyert, N. Bl”umer, A. K. McMahan, R. T.
Scalettar,T.Pruschke,V.I.AnisimovandD.Vollhrdt,“TheLDA+DMFTapproachto
correlated electron systems in Quantum Simulations of Complex Many-Body Systems:
From Theory to Algorithms, J. Grotendorst, D. Marks and A. Muramatsu (ed.), NIC
Series Volume 10, S. 175 (2002) [cond-mat/0112079].
62. E. Eisenberg, K. Held and B. L. Altshuler, Dephasing times in closed quantum dots,
Phys. Rev. Lett. 88, 136801 (2002).
63. K.Held,E.Eisenberg,andB.L.Altshuler,Effectofspectralfluctuationsonconductancepeak
height statistics in quantum dots, Phys. Rev. B 66, 033308 (2002).
64. K. Held, A. K. McMahan and R. T. Scalettar, Cerium volume collapse: Results from
6

the merger of Dynamical Mean-Field Theory and the Local Density Approximation,
Phys. Rev. Lett. 87, 276404 (2001).
65. K. Held, I. A. Nekrasov, N. Blümer, V. I. Anisimov and D. Vollhardt, Realistic modeling
of strongly correlated electron systems: An introduction to the LDA+DMFT
approach, Int. J. Mod. Phys. B 15, 2611 (2001).
66. K. Held, G. Keller, V. Eyert, V. I. Anisimov and D. Vollhardt, Mott-Hubbard Metal-
Insulator Transition in Paramagnetic V2O3: An LDA+DMFT(QMC) Study, Phys.
Rev. Lett. 86, 5345 (2001).
67. D. Vollhardt, N. Blumer, K. Held and M. Kollar, Metallic Ferromagnetism – An Electronic
Correlation Phenomenon in Band-Ferromagnetism, K. Baberschke, M. Donath
and W. Nolting (ed.), Lecture Notes in Physics, Vol. 580, (Springer, Heidelberg 2001),
S. 191.
68. I. A. Nekrasov, K. Held, N. Blumer, A. I. Poteryaev, V. I. Anisimov and D. Vollhardt,
Calculation of photoemission spectra of the doped Mott insulator La1−xSrxTiO3 using
LDA+DMFT(QMC), Eur. Phys. J. B 18, 55 (2000).
69. K. Held and R. Bulla, Mott transition of the f-electron system in the periodic Anderson
model with nearest neighbor hybridization, Eur. Phys. J. B 17, 7 (2000).
70. K. Held, C. Huscroft, R. T. Scalettar and A. K. McMahan, Similarities between the
Hubbard and Periodic Anderson Models at finite temperatures, Phys. Rev. Lett. 85,
373 (2000).
71. K. Held and D. Vollhardt Electronic Correlations in Manganites, Phys. Rev. Lett. 84,
5168 (2000).
72. D. Vollhardt, N. Blumer, K. Held, M. Kollar, J. Schlipf, M. Ulmke and J. Wahle,
Metallic ferromagnetism: Progress in our understanding of an old strong-coupling
problem, Advances in Solid State Physics 38, 383 (1999).
73. K. Held and D. Vollhardt, Microscopic conditions favoring itinerant ferromagnetism:
Hund’s rule coupling and orbital degeneracy, Eur. Phys. J. B 5, 473 (1998).
74. J. Wahle, N. Blumer, J. Schlipf, K. Held and D. Vollhardt, Microscopic conditions
favoring itinerant ferromagnetism, Phys. Rev. B 58, 12749 (1998).
75. K. Held, E. Rota Kops, B. J. Krause, W. M. Wells III, R. Kikinis and H.-W. Muller-
Gartner, Markov random field segmentation of brain MR images, IEEE Trans. Med.
Imag. 16, 878 (1997).
7

76. K.Held, M.Ulmke, N.BlumerandD.Vollhardt, Correlated-electrontheoryofstrongly
anisotropic metamagnets, Phys. Rev. B 56, 14469 (1997).
77. D.Vollhardt,N.Blumer,K.Held,M.Kollar,J.SchlipfandM.Ulmke,Non-perturbative
approaches to magnetism in strongly correlated electron systems, Z. Phys. B 103, 283
(1997).
78. E. Rota Kops, K. Held, B. J. Krause and H. W. Muller-Gartner, Segmentierung von
MR Hirnbildern mit Hilfe von Markov-Random-Feldern, Proceedings of the Aachen
workshop Bildverarbeitung fur die Medizin, November 1996, T. Lehmann, I. Scholl and
K. Spitzer (ed.) (Augustinus, Aachen, 1996).
79. K. Held, M. Ulmke and D. Vollhardt, Correlated-electron theory of metamagnetism in
strongly anisotropic antiferromagnets, Mod. Phys. Lett. B 10, 203 (1996).
8