DOI: 10.1063/1.1619931. Temperature evolution of structural and magnetic properties of transition metal clusters

Temperature evolution of structural and magnetic properties of transition metal clusters

10.1063/1.1619931

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We report an extension of our tight binding molecular dynamics method [Phys. Rev. B 57, 10069 (1998)] by incorporating the Nosé-bath and the multiple histogram approximations, so as to be applicable to cluster studies at finite temperatures in an efficient way. This generalization allows one to calculate the caloric curve for the cluster and use this to study the effect of temperature on the structural, electronic, and magnetic properties of clusters. The method is used to study the variation of structural and magnetic properties with temperature as well as to obtain the caloric curves of the Ni13 cluster. The results are compared with those obtained using classical potentials to describe the interatomic interactions.

Bibliography

Fthenakis, Z., Andriotis, A. N., & Menon, M. (2003). Temperature evolution of structural and magnetic properties of transition metal clusters. The Journal of Chemical Physics, 119(20), 10911â10916.

Authors 3

Zacharias Fthenakis (first)
Antonis N. Andriotis (additional)
Madhu Menon (additional)

References 32 Referenced 14

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Dates

Type	When
Created	21 years, 8 months ago (Dec. 3, 2003, 2:29 p.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 11:23 a.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 10:19 p.m.)
Issued	21 years, 9 months ago (Nov. 22, 2003)
Published	21 years, 9 months ago (Nov. 22, 2003)
Published Print	21 years, 9 months ago (Nov. 22, 2003)

Funders 0

None

BibTeX

@article{Fthenakis_2003, title={Temperature evolution of structural and magnetic properties of transition metal clusters}, volume={119}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1619931}, DOI={10.1063/1.1619931}, number={20}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Fthenakis, Zacharias and Andriotis, Antonis N. and Menon, Madhu}, year={2003}, month=nov, pages={10911–10916} }

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