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Possible routes for synthesis of new boron-rich Fe–B and compounds
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10.1063/1.3556564
/content/aip/journal/apl/98/8/10.1063/1.3556564
http://aip.metastore.ingenta.com/content/aip/journal/apl/98/8/10.1063/1.3556564

Figures

Image of FIG. 1.
FIG. 1.

[(a)–(c)] Boron-rich structures: iron and boron are shown as large cyan and small black spheres, respectively. (d) Atomic volume as a function of pressure. (e) Relative enthalpy of and candidate phases with respect to the tie-line. (f) Relative Gibbs energy [with vibrational contributions included using PHON (Ref. 25)] of with respect to at 0 K with and without zero point energy (ZPE) and at 1000 K.

Image of FIG. 2.
FIG. 2.

(a) Relative stability of the pseudobinary compound. (b) Total and projected DOS for lowest enthalpy compounds.

Tables

Generic image for table
Table I.

Calculated bulk , shear , and Young moduli and Poisson ratio for known and predicted Fe–B phases. is added for comparison.

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/content/aip/journal/apl/98/8/10.1063/1.3556564
2011-02-22
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Possible routes for synthesis of new boron-rich Fe–B and Fe1−xCrxB4 compounds
http://aip.metastore.ingenta.com/content/aip/journal/apl/98/8/10.1063/1.3556564
10.1063/1.3556564
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