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Stephen Blundell
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Roland Wiesendanger, editor
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J.M.D. Coey
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edited by Evgeny Y. Tsymbal, Igor Žutić
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Nicola A. Spaldin
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edited by Evgeny Y. Tsymbal, Igor Žutić
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edited by Evgeny Y. Tsymbal, Igor Žutic
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Evgeny Y. Tsymbal, Igor Zutic
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| 9.
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Obata, Masao ; Hamada, Ikutaro ; Oda, Tatsuki
概要:
We introduce scaling parameters for the spin-polarization dependent gradient correction to the local correlation in the
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van der Waals density functional, which enable us to tune the magnetic interaction between atoms and molecules. We have applied the method to solid oxygen and found that by using an optimal choice of the parameters, the structural parameters are significantly improved over the ones obtained in the previous work. We discuss the generic features of the proposed approach. © 2015 The Authors. Published by Elsevier B.V.<br />20th International Conference on Magnetism, ICM 2015; Palau de Congressos de Catalunya679, Avinguda DiagonalBarcelona; Spain; 5 July 2015 through 10 July 2015
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| 10.
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論文
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Sawada, Keisuke ; Ishii, Fumiyuki ; Saito, Mineo
概要:
金沢大学理工研究域数物科学系<br />Although the zigzag graphene nanoribbon attracts scientific interest because of its magnetic propert
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ies, the study of the magnetism of the armchair graphene nanoribbons (AGNRs) is insufficient. By using first-principles calculations, we find that the magnetic state of dehydrogenated AGNRs is stable in a wide range of electron doping. The spin polarization originates from the localized edge state around the Brillouin zone boundary. In the case of field effect transistor doping, some of the electrons injected into indirect-gap AGNRs induce half-metallicity and heavily doped direct-gap AGNRs are antiferromagnetic. We also find that nitrogen doping produces ferromagnetic insulators and half-metals. © 2011 The Physical Society of Japan.
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