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Ab initio study on a chain model of the Cr8 molecular magnet

Daria M. Tomecka UGent, V Bellini, F Troiani, F Manghi, G Kamieniarz and M Affronte (2008) PHYSICAL REVIEW B. 77(22).
abstract
We present a density-functional theory investigation of the electronic and magnetic properties of a linear chain model of the antiferromagnetic Cr(8) molecular ring. The chain model system is characterized by a smaller size of the simulation cell needed to perform the calculations, with respect to the one necessary for Cr(8). By the thorough comparison between the model complex and the Cr(8) ring, we prove that the chain model is reliable and mimics with good approximation the electronic and magnetic properties of Cr(8).
Please use this url to cite or link to this publication:
author
organization
alternative title
Ab initio study on a chain model of the Cr(8) molecular magnet
year
type
journalArticle (original)
publication status
published
subject
keyword
PLANE-WAVE METHOD, WHEELS, SPIN, ANISOTROPY
journal title
PHYSICAL REVIEW B
Phys. Rev. B
volume
77
issue
22
article_number
224401
pages
7 pages
Web of Science type
Article
Web of Science id
000257289300043
JCR category
PHYSICS, CONDENSED MATTER
JCR impact factor
3.322 (2008)
JCR rank
10/62 (2008)
JCR quartile
1 (2008)
ISSN
1098-0121
DOI
10.1103/PhysRevB.77.224401
language
English
UGent publication?
no
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
1996309
handle
http://hdl.handle.net/1854/LU-1996309
date created
2012-01-19 12:32:55
date last changed
2012-02-17 10:34:48
@article{1996309,
  abstract     = {We present a density-functional theory investigation of the electronic and magnetic properties of a linear chain model of the antiferromagnetic Cr(8) molecular ring. The chain model system is characterized by a smaller size of the simulation cell needed to perform the calculations, with respect to the one necessary for Cr(8). By the thorough comparison between the model complex and the Cr(8) ring, we prove that the chain model is reliable and mimics with good approximation the electronic and magnetic properties of Cr(8).},
  articleno    = {224401},
  author       = {Tomecka, Daria M. and Bellini, V and Troiani, F and Manghi, F and Kamieniarz, G and Affronte, M},
  issn         = {1098-0121},
  journal      = {PHYSICAL REVIEW B},
  keyword      = {PLANE-WAVE METHOD,WHEELS,SPIN,ANISOTROPY},
  language     = {eng},
  number       = {22},
  pages        = {7},
  title        = {Ab initio study on a chain model of the Cr8 molecular magnet},
  url          = {http://dx.doi.org/10.1103/PhysRevB.77.224401},
  volume       = {77},
  year         = {2008},
}

Chicago
Tomecka, Daria M., V Bellini, F Troiani, F Manghi, G Kamieniarz, and M Affronte. 2008. “Ab Initio Study on a Chain Model of the Cr8 Molecular Magnet.” Physical Review B 77 (22).
APA
Tomecka, D. M., Bellini, V., Troiani, F., Manghi, F., Kamieniarz, G., & Affronte, M. (2008). Ab initio study on a chain model of the Cr8 molecular magnet. PHYSICAL REVIEW B, 77(22).
Vancouver
1.
Tomecka DM, Bellini V, Troiani F, Manghi F, Kamieniarz G, Affronte M. Ab initio study on a chain model of the Cr8 molecular magnet. PHYSICAL REVIEW B. 2008;77(22).
MLA
Tomecka, Daria M., V Bellini, F Troiani, et al. “Ab Initio Study on a Chain Model of the Cr8 Molecular Magnet.” PHYSICAL REVIEW B 77.22 (2008): n. pag. Print.