The structure phase transition in atom-wide Co wires on a vicinal Cu{111} surface

The ab initio calculations are performed to study the structure of atom-wide Co wire on a vicinal Cu{111} surface. We have found two ferromagnetic states of Co wires. In the first state the Co wire consists of dimers, while in the second state the distance between atoms in Co wire is equal. Using Mo...

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Bibliographic Details
Published in:Materials letters 2016-09, Vol.179, p.69-72
Main Authors: Syromyatnikov, A.G., Kolesnikov, S.V., Saletsky, A.M., Klavsyuk, A.L.
Format: Article
Language:English
Subjects:
ATOMS
COMPUTER SIMULATION
DFT calculations
Dimers
Ferromagnetism
MAGNETIC PROPERTIES
MATHEMATICAL ANALYSIS
Monte Carlo methods
Nanowires
Phase transformations
Phase transition
PHASES
Vicinal surface
WIRE
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Summary:The ab initio calculations are performed to study the structure of atom-wide Co wire on a vicinal Cu{111} surface. We have found two ferromagnetic states of Co wires. In the first state the Co wire consists of dimers, while in the second state the distance between atoms in Co wire is equal. Using Monte Carlo simulations we demonstrated the structure phase transition in a Co wire. Moreover, the phase transition temperature was determined and the size-effect was studied. •Co wire on a vicinal Cu(111) have two ferromagnetic states.•In the first state the Co wire consists of dimers, while in the second state the distance between atoms in Co wire is equal.•Dimerized structural phase of Co wire is a low-temperature phenomenon, occurring only below a critical temperature.•The phase transition temperature depends drastically on the length of the wire and the tip bias.
ISSN:0167-577X
1873-4979
DOI:10.1016/j.matlet.2016.05.024