Interplay between magnetism and structure in atomic-size Pd contacts: Ab initio studiesстатья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 31 октября 2012 г.
Аннотация:We present ab initio study of the interplay between atomic structure and magnetic properties in palladium atomic-size contacts suspended between palladium electrodes. This study was motivated by recent controversy between Delin [Phys. Rev. Lett. 96, 079702 (2006)] and Alexandre [Phys. Rev. Lett. 96, 079701 (2006)] about possible onset of magnetism in palladium (Pd) contacts. Here, we elucidate the effect of atomic arrangement and structure relaxations revealed in contracted and elongated Pd contacts on their magnetic properties. Planelike and pyramidlike geometries for electrodes are studied. We demonstrate that palladium contacts exhibit magnetic properties distributed inhomogeneously within the contact for a wide range of distances between separated electrodes.