Zobrazeno 1 - 10
of 101
pro vyhledávání: '"Grånäs, O."'
Autor:
Björnson, K., Wills, J. M., Alouani, M., Grånäs, O., Thunström, P., Ong, Chin Shen, Eriksson, O.
We present a general method of constructing \textit{in-situ} pseodopotentials from first principles, all-electron, full-potential electronic structure calculations of a solid. The method is applied to bcc Na, at equilibrium volume. The essential step
Externí odkaz:
http://arxiv.org/abs/2102.04719
Autor:
Di Marco, L. Peters. I., Grånäs, O., Şaşıoğlu, E., Altun, A., Rossen, S., Friedrich, C., Blügel, S., Katsnelson, M. I., Kirilyuk, A., Eriksson, O.
Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic moment with
Externí odkaz:
http://arxiv.org/abs/1605.09547
The electronic structure and magnetic properties of a single Fe adatom on a CuN surface have been studied using density functional theory in the local spin density approximation (LSDA), the LSDA+U approach and the local density approximation plus dyn
Externí odkaz:
http://arxiv.org/abs/1511.07909
Publikováno v:
Phys. Rev. B 93, 075104 (2016)
The ill-posed analytic continuation problem for Green's functions and self-energies is investigated by revisiting the Pad\'{e} approximants technique. We propose to remedy the well-known problems of the Pad\'{e} approximants by performing an average
Externí odkaz:
http://arxiv.org/abs/1511.03496
Autor:
Kvashnin, Y. O., Grånäs, O., Di Marco, I., Katsnelson, M. I., Lichtenstein, A. I., Eriksson, O.
In this paper we present an accurate numerical scheme for extracting inter-atomic exchange parameters ($J_{ij}$) of strongly correlated systems, based on first-principles full-potential electronic structure theory. The electronic structure is modelle
Externí odkaz:
http://arxiv.org/abs/1503.02864
Autor:
Grånäs, O., Di Marco, I., Thunström, P., Nordström, L, Eriksson, O., Björkman, T., Wills, J. M.
Publikováno v:
Computational Materials Science 55, 295 (2012)
Full charge self-consistence (CSC) over the electron density has been implemented into the local density approximation plus dynamical mean-field theory (LDA+DMFT) scheme based on a full-potential linear muffin-tin orbital method (FP-LMTO). Computatio
Externí odkaz:
http://arxiv.org/abs/1110.2606
Autor:
Grånäs, O., Vaskivskyi, I., Wang, X., Thunström, P., Ghimire, S., Knut, R., Söderström, J., Kjellsson, L., Turenne, D., Engel, R. Y., Beye, M., Lu, J., Higley, D. J., Reid, A. H., Schlotter, W., Coslovich, G., Hoffmann, M., Kolesov, G., Schüßler-Langeheine, C., Styervoyedov, A., Tancogne-Dejean, N., Sentef, M. A., Reis, D. A., Rubio, A., Parkin, S. S. P., Karis, O., Rubensson, J.-E., Eriksson, O., Duerr, Hermann
Publikováno v:
Physical Review Research
Physical review research 4(3), L032030 (2022). doi:10.1103/PhysRevResearch.4.L032030
Physical review research 4(3), L032030 (2022). doi:10.1103/PhysRevResearch.4.L032030
Physical review research 4(3), L032030 (2022). doi:10.1103/PhysRevResearch.4.L032030
A nontrivial balance between Coulomb repulsion and kinematic effects determines the electronic structure of correlated electron materials. The use of electromag
A nontrivial balance between Coulomb repulsion and kinematic effects determines the electronic structure of correlated electron materials. The use of electromag
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33a495022882f1842c28af3367803cad
https://hdl.handle.net/21.11116/0000-000B-366A-221.11116/0000-000B-3668-4
https://hdl.handle.net/21.11116/0000-000B-366A-221.11116/0000-000B-3668-4
Akademický článek
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Autor:
Grånäs, O., Di Marco, I., Thunström, P., Nordström, L., Eriksson, O., Björkman, T., Wills, J.M.
Publikováno v:
In Computational Materials Science April 2012 55:295-302
Akademický článek
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