Is it possible to get high Tc magnets with Prussian blue analogues?: A theoretical prospect

被引：123

作者：

Ruiz, E

Rodríguez-Fortea, A

Alvarez, S

Verdaguer, M

机构：

[1] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain

[2] Univ Barcelona, CeRQT, E-08028 Barcelona, Spain

[3] Univ Paris 06, CNRS, Lab CIM2, Unit 7071, F-75252 Paris, France

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2005年 / 11卷 / 07期

关键词：

density functional calculations; electronic structure; magnetic properties; molecular magnets; Prussian blue analogues;

D O I：

10.1002/chem.200400821

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Theoretical methods based on density functional theory have been employed to search for Prussian blue analogues with Curie temperatures higher than the ones reached today. Our study suggests several possible cyano-bridged compounds as candidates to present stronger exchange coupling and higher ordering temperatures than the well known (CrVII)-V-III derivatives.

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页码：2135 / 2144

页数：10

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