MAGNETISM, CHEMICAL BONDING, AND HYPERFINE PROPERTIES IN THE NANOSCALE ANTIFERROMAGNET [FE(OME)(2)(O2CCH2CL)](10)

Authors
ZENG Z DUAN Y GUENZBURGER D
Citation
Z. Zeng et al., MAGNETISM, CHEMICAL BONDING, AND HYPERFINE PROPERTIES IN THE NANOSCALE ANTIFERROMAGNET [FE(OME)(2)(O2CCH2CL)](10), Physical review. B, Condensed matter, 55(18), 1997, pp. 12522-12528
Citations number
36
Categorie Soggetti
Physics, Condensed Matter
Journal title
Physical review. B, Condensed matter → ACNP
ISSN journal
01631829
Volume
55
Issue
18
Year of publication
1997
Pages
12522 - 12528
Database
ISI
SICI code
0163-1829(1997)55:18<12522:MCBAHP>2.0.ZU;2-Y
Abstract
The electronic and magnetic properties of the nanometer-size antiferro magnet [Fe(OMe)(2)(O2CCH2Cl)](10) are investigated with the first-prin ciples spin-polarized discrete variational method, in the framework of density-functional theory. Magnetic moments, densities of slates, and charge- and spin-density maps are obtained. The Mossbauer hyperfine p arameters isomer shift, quadrupole splitting, and hyperfine field are obtained from the calculations and compared to reported experimental v alues when available.