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Slater-Pauling behavior in LiMgPdSn-type multifunctional quaternary Heusler materials: Half-metallicity, spin-gapless and magnetic semiconductors
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10.1063/1.4805063
/content/aip/journal/jap/113/19/10.1063/1.4805063
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/19/10.1063/1.4805063

Figures

Image of FIG. 1.
FIG. 1.

Total DOS per formula unit for the compounds being magnetic/spin-gapless semiconductors. Positive DOS values correspond to the spin-up states and negative DOS values to the spin-down states. The zero of the energy axis corresponds to the Fermi level.

Image of FIG. 2.
FIG. 2.

Schematic representation of the energy levels of the majority- and minority- spin electronic band structure for the 21 and 26 valence-electrons spin-gapless semiconductors.

Tables

Generic image for table
Table I.

Calculated equilibrium lattice constant and spin magnetic moments in for the LiMgPdSn-type Heusler compounds under study obeying the Slater-Pauling rule. Note that the chemical formula is XX′YZ but the sequence of the atoms in the unit cell is X-Y-X′-Z. The total spin magnetic moment is given per formula unit (which coincides with the per unit cell value).

Generic image for table
Table II.

Similar to Table I for the compounds obeying the Slater-Pauling rule.

Generic image for table
Table III.

Similar to Table I for the compounds being magnetic semiconductors or spin-gapless semiconductors. The last column is the sum of the absolute values of the atom-resolved spin magnetic moments.

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/content/aip/journal/jap/113/19/10.1063/1.4805063
2013-05-17
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Slater-Pauling behavior in LiMgPdSn-type multifunctional quaternary Heusler materials: Half-metallicity, spin-gapless and magnetic semiconductors
http://aip.metastore.ingenta.com/content/aip/journal/jap/113/19/10.1063/1.4805063
10.1063/1.4805063
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