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

(2008) PHYSICAL REVIEW B. 77(22).
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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).
Keywords
PLANE-WAVE METHOD, WHEELS, SPIN, ANISOTROPY

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Citation

Please use this url to cite or link to this publication:

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.
@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},
}

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