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Igor Di Marco
Researcher at Pohang University of Science and Technology
Publications - 50
Citations - 1845
Igor Di Marco is an academic researcher from Pohang University of Science and Technology. The author has contributed to research in topics: Electronic structure & Density functional theory. The author has an hindex of 15, co-authored 43 publications receiving 1369 citations. Previous affiliations of Igor Di Marco include Asia Pacific Center for Theoretical Physics & Uppsala University.
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Reproducibility in density functional theory calculations of solids
Kurt Lejaeghere,Gustav Bihlmayer,Torbjörn Björkman,Torbjörn Björkman,Peter Blaha,Stefan Blügel,Volker Blum,Damien Caliste,Ivano E. Castelli,Stewart J. Clark,Andrea Dal Corso,Stefano de Gironcoli,Thierry Deutsch,J. K. Dewhurst,Igor Di Marco,Claudia Draxl,Claudia Draxl,Marcin Dulak,Olle Eriksson,José A. Flores-Livas,Kevin F. Garrity,Luigi Genovese,Paolo Giannozzi,Matteo Giantomassi,Stefan Goedecker,Xavier Gonze,Oscar Grånäs,Oscar Grånäs,E. K. U. Gross,Andris Gulans,Andris Gulans,Francois Gygi,D. R. Hamann,P. J. Hasnip,Natalie Holzwarth,Diana Iusan,Dominik B. Jochym,F. Jollet,Daniel M. Jones,Georg Kresse,Klaus Koepernik,Klaus Koepernik,Emine Kucukbenli,Emine Kucukbenli,Yaroslav Kvashnin,Inka L. M. Locht,Inka L. M. Locht,Sven Lubeck,Martijn Marsman,Nicola Marzari,Ulrike Nitzsche,Lars Nordström,Taisuke Ozaki,Lorenzo Paulatto,Chris J. Pickard,Ward Poelmans,Matt Probert,Keith Refson,Keith Refson,Manuel Richter,Manuel Richter,Gian-Marco Rignanese,Santanu Saha,Matthias Scheffler,Matthias Scheffler,Martin Schlipf,Karlheinz Schwarz,Sangeeta Sharma,Francesca Tavazza,Patrik Thunström,Alexandre Tkatchenko,Alexandre Tkatchenko,Marc Torrent,David Vanderbilt,Michiel van Setten,Veronique Van Speybroeck,John M. Wills,Jonathan R. Yates,Guo-Xu Zhang,Stefaan Cottenier +79 more
TL;DR: A procedure to assess the precision of DFT methods was devised and used to demonstrate reproducibility among many of the most widely used DFT codes, demonstrating that the precisionof DFT implementations can be determined, even in the absence of one absolute reference code.
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Phonon spectrum, thermodynamic properties, and pressure-temperature phase diagram of uranium dioxide
TL;DR: In this paper, the structural phase transition and the mechanical and thermodynamic properties of UO${}_{2}$ by means of the local density approximation (LDA)+$U$ approach were analyzed.
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A new 2D monolayer BiXene, M2C (M = Mo, Tc, Os)
Weiwei Sun,Yunguo Li,Bao-Tian Wang,Xue Jiang,Mikhail I. Katsnelson,Pavel A. Korzhavyi,Olle Eriksson,Igor Di Marco +7 more
TL;DR: The existence of BiXenes, a new family of 2D monolayers, is hereby predicted in this article, which can be formed from the 4d/5d binary carbides.
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Electronic entanglement in late transition metal oxides.
TL;DR: This work presents a study of the entanglement in the electronic structure of the late transition metal monoxides--MnO, FeO, CoO, and NiO--obtained by means of density-functional theory in the local density approximation combined with dynamical mean-field theory.
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The Bethe-Slater curve revisited; new insights from electronic structure theory.
R. Cardias,Attila Szilva,Anders Bergman,Igor Di Marco,Mikhail I. Katsnelson,Alexander I. Lichtenstein,Lars Nordström,A. B. Klautau,Olle Eriksson,Yaroslav Kvashnin +9 more
TL;DR: A deeper analysis by comparing 3d metals in the bcc and fcc structures finds that there is no coupling between the Eg orbitals of one atom and T2g orbital of its NNs, for both cubic phases, and demonstrates that these couplings are forbidden by symmetry.