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Atomistic modeling of surface alloy ordering and segregation in the Fe–Pt system
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10.1063/1.2158515
/content/aip/journal/apl/88/1/10.1063/1.2158515
http://aip.metastore.ingenta.com/content/aip/journal/apl/88/1/10.1063/1.2158515

Figures

Image of FIG. 1.
FIG. 1.

(a) Fe–Pt phase diagram and results of BFS simulations for , FePt, and showing the equilibrium state at room temperature.

Image of FIG. 2.
FIG. 2.

Intermediate states of the computational cell in a Monte Carlo simulation where a 5 ML Fe film deposited on Pt(111) is steadily heated to 700 °C.

Image of FIG. 3.
FIG. 3.

Intermediate states of the computational cell in a Monte Carlo simulation where a 5 ML Fe film deposited on Pt(100) is steadily heated to 700 °C.

Tables

Generic image for table
Table I.

Individual BFS energy contributions (in eV) for Fe and Pt atoms in the , FePt, and alloys. The last row shows the energy of formation (in ).

Generic image for table
Table II.

Fe concentrations, and (in at. %) in the top plane and first plane below the surface , respectively, as a function of bulk Fe concentration (first column) for different temperatures.

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/content/aip/journal/apl/88/1/10.1063/1.2158515
2006-01-05
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Atomistic modeling of surface alloy ordering and segregation in the Fe–Pt system
http://aip.metastore.ingenta.com/content/aip/journal/apl/88/1/10.1063/1.2158515
10.1063/1.2158515
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