Bulletin of the American Physical Society
APS March Meeting 2013
Volume 58, Number 1
Monday–Friday, March 18–22, 2013; Baltimore, Maryland
Session J16: Focus Session: Molecular Nanomagnets/Devices
2:30 PM–5:30 PM,
Tuesday, March 19, 2013
Sponsoring Units: GMAG DMP
Chair: Stefano Carretta, University of Parma
Abstract ID: BAPS.2013.MAR.J16.7
Abstract: J16.00007 : Vibrational properties of single-molecule magnet Fe4*
4:06 PM–4:18 PM
Preview Abstract Abstract
A single-molecule magnet (SMM) Fe$_4$ consists of four Fe ions interacting through O anions via antiferromagnetic superexchange coupling, with the total ground-state spin of $S=5$. The SMM Fe$_4$ has a magnetic anisotropy energy of $16$ K, and its ground-state spin multiplet is well separated from the first excited spin multiplet. A recent experimental effort demonstrated that SMMs Fe$_4$ can be deposited on various substrates with magnetic cores intact and that individual Fe$_4$ molecules can be bridged between electrodes. SMMs Fe$_4$ deposited on substrates or in contact with electrodes revealed interesting magnetic and transport properties. Electronic and spin degrees of freedom of SMM Fe$_4$ may be coupled to vibrational degrees of freedom. Such coupling can affect various properties of SMM Fe$_4$. Here we present our calculation of vibrational spectra (Raman and infrared) of SMM Fe$_4$ using density-functional theory (DFT) within simple harmonic oscillator approximation. We identify normal modes and compare our calculated result with available experimental data.
*This work was supported by NSF-DMR-0804665, 1206354, SDSC DMR060009N.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2013.MAR.J16.7
The American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics.
1 Physics Ellipse, College Park, MD 20740-3844
Editorial Office 1 Research Road, Ridge, NY 11961-2701 (631) 591-4000
Office of Public Affairs 529 14th St NW, Suite 1050, Washington, D.C. 20045-2001 (202) 662-8700