Oscillating spin-density pattern in gold metallocene and phthalocyanine molecules

Diego Carrascal; Lucas Fernandez-Seivane; Jaime Ferrer

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Oscillating spin-density pattern in gold metallocene and phthalocyanine molecules

机译：金茂金属和酞菁分子中的振荡自旋密度模式

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We present a theoretical study of the magnetic properties of the spin-1/2 dicyclopentadienyl metallocene (MCp_2) and phthalocyanine molecules that contain the transition-metal atoms M=Co, Cu, and Au. We find that the spin-density pattern of gold molecules shows a fully delocalized and oscillating behavior. This spin pattern is to be contrasted with the well-known cases of cobalt or iron molecules, where the magnetic moment is strongly localized at the transition-metal ion.

机译：我们对包含过渡金属原子M = Co，Cu和Au的自旋1/2二环戊二烯基金属茂（MCp_2）和酞菁分子的磁性进行了理论研究。我们发现金分子的自旋密度模式显示出完全离域和振荡行为。这种自旋模式与钴或铁分子的公知情况形成对比，在钴或铁分子中，磁矩强烈地局限在过渡金属离子上。

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来源
《Physical review》 |2009年第18期|184415.1-184415.6|共6页
作者
Diego Carrascal; Lucas Fernandez-Seivane; Jaime Ferrer;
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作者单位

Departamento de Fisica, Universidad de Oviedo, 33007 Oviedo, Spain and Centra de Investigation en Nanomateriales y Nanotecnologia, CSIC and Universidad de Oviedo, 33011 Oviedo, Spain;

Departamento de Fisica, Universidad de Oviedo, 33007 Oviedo, Spain and Centra de Investigation en Nanomateriales y Nanotecnologia, CSIC and Universidad de Oviedo, 33011 Oviedo, Spain;

Departamento de Fisica, Universidad de Oviedo, 33007 Oviedo, Spain and Centra de Investigation en Nanomateriales y Nanotecnologia, CSIC and Universidad de Oviedo, 33011 Oviedo, Spain;

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magnetic properties of nanostructures; electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility; molecular magnets; molecular nanostructures;

机译：纳米结构的磁性电和磁矩（及导数）;极化率和磁化率;分子磁体分子纳米结构;

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Oscillating spin-density pattern in gold metallocene and phthalocyanine molecules

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