A theoretical study of spin level crossing induced by an external magneticfield of ring molecule magnet models

Authors
Shigeta, Y Kawakami, T Nagao, H Yamaguchi, K
Citation
Y. Shigeta et al., A theoretical study of spin level crossing induced by an external magneticfield of ring molecule magnet models, CHEM P LETT, 315(5-6), 1999, pp. 441-445
Citations number
17
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
315
Issue
5-6
Year of publication
1999
Pages
441 - 445
Database
ISI
SICI code
0009-2614(199912)315:5-6<441:ATSOSL>2.0.ZU;2-I
Abstract
The dependence of the magnetization of model systems on an external magneti c field has been investigated. An ab initio path integral Monte Carlo metho d is used to study the spin level crossing phenomena of molecules with ring structures such as those in the ferric wheel [Fe(OMe)(2)(O2CCH2Cl)](10). T he ab initio treatment is essential to calculate the magnetization in a sys tem with a large contribution from next-neighbor interactions. A possible u se as a molecular device for switching or molecular recognition is suggeste d. (C) 1999 Elsevier Science B.V. All rights reserved.