Magnetic and electronic structure of Ni/Ag bilayers

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Universidade Federal do Rio Grande, do Sul, Porto Alegre, Brazil [1 ]
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Solid State Commun | / 2卷 / 123-128期
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Approximation theory - Calculations - Crystal lattices - Magnetic properties - Multilayers - Nickel - Silver;
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摘要
Self-consistent band-structure calculations were performed for Ni/Ag bilayers to study important features of these materials. Using the Linear Muffin-Tin Orbital (LMTO) method, we carried out calculations for several lattice parameters in order to obtain ground-state properties such as equilibrium volume, bulk modulus and critical pressure of the Ni/Ag bilayers. The analysis of the density of states at equilibrium volume gives a good description of the electronic and magnetic properties of these bilayers. The results show a breakdown of the small magnetic moment at Ni sites for certain critical lattice parameters.
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