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The electronic structure and spin polarization of and alloys
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10.1063/1.3388640
/content/aip/journal/jap/107/9/10.1063/1.3388640
http://aip.metastore.ingenta.com/content/aip/journal/jap/107/9/10.1063/1.3388640

Figures

Image of FIG. 1.
FIG. 1.

Total spin up and spin down DOS of alloy.

Image of FIG. 2.
FIG. 2.

Band structure and DOS for majority (top) and minority (bottom) channels for Heusler alloy.

Image of FIG. 3.
FIG. 3.

The cell of structure using 16 atoms.

Image of FIG. 4.
FIG. 4.

DOS for majority and minority channels of Heusler alloys, where , 0.50, and 0.75.

Image of FIG. 5.
FIG. 5.

The formation energy of alloys as a function of Si concentration.

Image of FIG. 6.
FIG. 6.

Band structure and DOS for majority (top) and minority (bottom) spin channels of alloy.

Image of FIG. 7.
FIG. 7.

(a) Upper panel: The total DOS for majority and minority channels of structure (solid line) as compared to the half-metallic Heusler alloys (shaded). Lower panel: The local density of states of Fe atoms at sites A and C (shaded), Fe at D site (solid line) and Mn atom at B site (dashed line) in . (b) Upper panel: The total DOS for majority and minority channels of structure (solid line) as compared to the half-metallic Heusler alloys (shaded). (b) Lower panel: The local density of states of Fe atoms at sites A and C (shaded) and Mn atom (dashed line) in .

Tables

Generic image for table
Table I.

Equilibrium lattice constant , bulk modulus , total magnetic moments , and local spin magnetic moments for and alloys.

Generic image for table
Table II.

The formation energy, band gap , total magnetic moment , and local spin magnetic moments for structures with (FP-LAPW calculation).

Generic image for table
Table III.

Equilibrium lattice constant , bulk modulus , formation energy , and local spin magnetic moment in structures for (CPA calculations).

Generic image for table
Table IV.

Equilibrium lattice constant , bulk modulus , formation energy , and local spin magnetic moment in structures for (CPA calculations).

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/content/aip/journal/jap/107/9/10.1063/1.3388640
2010-05-06
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The electronic structure and spin polarization of Fe3−xMnxSi and Fe3−yMnSiy alloys
http://aip.metastore.ingenta.com/content/aip/journal/jap/107/9/10.1063/1.3388640
10.1063/1.3388640
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