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ЖУРНАЛЫ // Письма в Журнал экспериментальной и теоретической физики // Архив

Письма в ЖЭТФ, 2011, том 93, выпуск 2, страницы 73–77 (Mi jetpl1808)

Эта публикация цитируется в 14 статьях

КОНДЕНСИРОВАННОЕ СОСТОЯНИЕ

Evidence for strong Coulomb correlations in metallic phase of vanadium dioxide

A. S. Belozerova, A. I. Poteryaevab, V. I. Anisimova

a Institute of Metal Physics, Russian Academy of Sciences, 620041, Ekaterinburg GSP-170, Russia
b Ural Federal University, 620002 Ekaterinburg, Russia

Аннотация: The influence of Coulomb correlation on magnetic and spectral properties in metallic rutile phase of vanadium dioxide is studied by state of the art LDA+DMFT method. Calculation results in strongly correlated metallic state with an effective mass renormalization $m^*/m\approx2$. Uniform magnetic susceptibility shows Curie-Weiss temperature dependence with effective magnetic moment, $p_{\rm eff}^{\rm theor}=1.54\mu_B$, in a good agreement with the experimental value $p_{\rm eff}^{\exp}=1.53\mu_B$ that is close to ideal value for V$^{4+}$ ion with the spin $S=1/2$, $p_{eff} = 1.73 \mu_B$. Calculated spectral function shows well developed Hubbard bands observable in the recent experimental photoemission spectra. We conclude that VO$_2$ in rutile phase is strongly correlated metal with local magnetic moments formed by vanadium $d$-electrons.

Поступила в редакцию: 29.11.2010

Язык публикации: английский


 Англоязычная версия: Journal of Experimental and Theoretical Physics Letters, 2011, 93:2, 70–74

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