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gamma-Mn at the border between weak and strong correlations
Uppsala universitet, Teknisk-naturvetenskapliga vetenskapsområdet, Fysiska sektionen, Institutionen för fysik och materialvetenskap.
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2009 (engelsk)Inngår i: European Physical Journal B: Condensed Matter Physics, ISSN 1434-6028, E-ISSN 1434-6036, Vol. 72, nr 4, s. 473-478Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

We investigate the role of magnetic fluctuations in the spectral properties of paramagnetic gamma-Mn. Two methods are employed. The Local Density Approximation plus Dynamical Mean-Field Theory together with the numerically exact quantum Monte-Carlo solver is used as a reference for the spectral properties. Then the same scheme is used with the computationally less demanding perturbative spin-polarized fluctuation-exchange solver in combination with the Disordered Local Moment approach, and photoemission spectra are calculated within the one-step model. It is shown that the formation of local magnetic moments in gamma-Mn is very sensitive to the value of Hund's exchange parameter. Comparison with the experimental photoemission spectra demonstrates that gamma-Mn is a strongly correlated system, with the Hubbard band formation, which cannot be described by the perturbative approach. However, minor change of parameters would transform it into a weakly correlated system.

sted, utgiver, år, opplag, sider
2009. Vol. 72, nr 4, s. 473-478
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URN: urn:nbn:se:uu:diva-127372DOI: 10.1140/epjb/e2009-00390-1ISI: 000272803300001OAI: oai:DiVA.org:uu-127372DiVA, id: diva2:329718
Tilgjengelig fra: 2010-07-13 Laget: 2010-07-13 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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