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Improved methods for calculating thermodynamic properties of magnetic systems using Wang-Landau density of states
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10.1063/1.3565413
/content/aip/journal/jap/109/7/10.1063/1.3565413
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/7/10.1063/1.3565413

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Wang-Landau estimates of the DOS for bcc-iron with (color online). The dashed red curve is for four-shell exchange, the green (light solid) curve is the calculated warped DOS for the 10-shell exchange, and the solid black curve is the density of states for the 10-shell exchange estimated with the Wang-Landau method, . The inset highlights the agreement between and the Wang-Landau estimate for a small energy range.

Image of FIG. 2.
FIG. 2.

(Color online) Specific heat, C, calculated for density of states presented in Fig. 1.

Tables

Generic image for table
Table I.

Exchange interactions in meV for bcc iron. The interactions in the left-hand table are included in the unperturbed Hamiltonian, , and the right-hand table are interactions treated as the perturbation .

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/content/aip/journal/jap/109/7/10.1063/1.3565413
2011-04-13
2014-04-23
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Improved methods for calculating thermodynamic properties of magnetic systems using Wang-Landau density of states
http://aip.metastore.ingenta.com/content/aip/journal/jap/109/7/10.1063/1.3565413
10.1063/1.3565413
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