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arxiv: 1003.2039 · v1 · submitted 2010-03-10 · ❄️ cond-mat.mtrl-sci · cond-mat.str-el

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Electronic Structure Calculations of Magnetic Exchange Interactions in Europium Monochalcogenides

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classification ❄️ cond-mat.mtrl-sci cond-mat.str-el
keywords exchangemagneticpressureresultsapproximationsbandbulkcalculations
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Using a combination of local spin density and Hubbard 1 approximations we study the mechansim of exchange interacion in EuX (X=O, S, Se and Te). We reproduce known experimental results about bulk modulus, critical pressure for structural phase transition, magnetic ordering temperature, spin--wave dispersions as well as momentum-- and tempearuture--dependent band shift. Our numerical results show pressure induced competition between the hybirization enhanced exchange interaction and Kondo--like coupling in EuO. Possible ways to enhance T_{c} are discussed.

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