Igor Di Marco
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Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
Theory of bulk and surface quasiparticle spectra for Fe, Co, and Ni
A Grechnev, I Di Marco, MI Katsnelson, AI Lichtenstein, J Wills, O Eriksson
Physical Review B 76 (3), 035107, 2007
Exchange parameters of strongly correlated materials: Extraction from spin-polarized density functional theory plus dynamical mean-field theory
YO Kvashnin, O Grånäs, I Di Marco, MI Katsnelson, AI Lichtenstein, ...
Physical Review B 91 (12), 125133, 2015
Strength of correlation effects in the electronic structure of iron
J Sánchez-Barriga, J Fink, V Boni, I Di Marco, J Braun, J Minár, ...
Physical review letters 103 (26), 267203, 2009
Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide
BT Wang, P Zhang, R Lizárraga, I Di Marco, O Eriksson
Physical Review B 88 (10), 104107, 2013
Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: Methodology and applications
O Grånäs, I Di Marco, P Thunström, L Nordström, O Eriksson, T Björkman, ...
Computational Materials Science 55, 295-302, 2012
Correlation effects in the total energy, the bulk modulus, and the lattice constant of a transition metal: Combined local-density approximation and dynamical mean-field theory …
I Di Marco, J Minár, S Chadov, MI Katsnelson, H Ebert, AI Lichtenstein
Physical Review B 79 (11), 115111, 2009
Microscopic origin of Heisenberg and non-Heisenberg exchange interactions in ferromagnetic bcc Fe
YO Kvashnin, R Cardias, A Szilva, I Di Marco, MI Katsnelson, ...
Physical review letters 116 (21), 217202, 2016
Standard model of the rare earths analyzed from the Hubbard I approximation
ILM Locht, YO Kvashnin, DCM Rodrigues, M Pereiro, A Bergman, ...
Physical Review B 94 (8), 085137, 2016
Electronic entanglement in late transition metal oxides
P Thunström, I Di Marco, O Eriksson
Physical review letters 109 (18), 186401, 2012
Electron correlations in MnxGa1–xAs as seen by resonant electron spectroscopy and dynamical mean field theory
I Di Marco, P Thunström, MI Katsnelson, J Sadowski, K Karlsson, ...
Nature Communications 4 (1), 2645, 2013
Analytic continuation by averaging Padé approximants
J Schött, ILM Locht, E Lundin, O Grånäs, O Eriksson, I Di Marco
Physical Review B 93 (7), 075104, 2016
Effects of spin-dependent quasiparticle renormalization in Fe, Co, and Ni photoemission spectra: An experimental and theoretical study
J Sánchez-Barriga, J Braun, J Minár, I Di Marco, A Varykhalov, O Rader, ...
Physical Review B 85 (20), 205109, 2012
The Bethe-Slater curve revisited; new insights from electronic structure theory
R Cardias, A Szilva, A Bergman, ID Marco, MI Katsnelson, AI Lichtenstein, ...
Scientific reports 7 (1), 4058, 2017
A new 2D monolayer BiXene, m 2 C (M= Mo, Tc, Os)
W Sun, Y Li, B Wang, X Jiang, MI Katsnelson, P Korzhavyi, O Eriksson, ...
Nanoscale 8 (34), 15753-15762, 2016
Multiplet effects in the electronic structure of intermediate-valence compounds
P Thunström, I Di Marco, A Grechnev, S Lebegue, MI Katsnelson, ...
Physical Review B 79 (16), 165104, 2009
Quantitative determination of spin-dependent quasiparticle lifetimes and electronic correlations in hcp cobalt
J Sánchez-Barriga, J Minár, J Braun, A Varykhalov, V Boni, I Di Marco, ...
Physical Review B 82 (10), 104414, 2010
Identifying the electronic character and role of the Mn states in the valence band of (Ga, Mn) As
J Fujii, BR Salles, M Sperl, S Ueda, M Kobata, K Kobayashi, Y Yamashita, ...
Physical Review Letters 111 (9), 097201, 2013
Understanding the electrochemical properties of A 2 MSiO 4 (A= Li and Na; M= Fe, Mn, Co and Ni) and the Na doping effect on Li 2 MSiO 4 from first-principles calculations
Y Li, W Sun, J Liang, H Sun, I Di Marco, L Ni, S Tang, J Zhang
Journal of Materials Chemistry A 4 (44), 17455-17463, 2016
Treatment of states of the rare earths: The case study of TbN
L Peters, I Di Marco, P Thunström, MI Katsnelson, A Kirilyuk, O Eriksson
Physical review B 89 (20), 205109, 2014
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