16 research outputs found
Generalized Slater-Pauling rule for the inverse Heusler compounds
We present extensive first-principles calculations on the inverse
full-Heusler compounds having the chemical formula XYZ where (X = Sc, Ti,
V, Cr or Mn), (Z = Al, Si or As) and the Y ranges from Ti to Zn. Several of
these alloys are identified to be half-metallic magnets. We show that the
appearance of half-metallicity is associated in all cases to a Slater-Pauling
behavior of the total spin-magnetic moment. There are three different variants
of this rule for the inverse Heusler alloys depending on the chemical type of
the constituent transition-metal atoms. Simple arguments regarding the
hybridization of the d-orbitals of neighboring atoms can explain these rules.
We expect our results to trigger further experimental interest on this type of
half-metallic Heusler compounds.Comment: 5 pages, 3 figures, 1 tabl
Search for spin gapless semiconductors: The case of inverse Heusler compounds
We employ ab-initio electronic structure calculations to search for spin
gapless semiconductors, a recently identified new class of materials, among the
inverse Heusler compounds. The occurrence of this property is not accompanied
by a general rule and results are materials specific. The six compounds
identified show semiconducting behavior concerning the spin-down band structure
and in the spin-up band structure the valence and conduction bands touch each
other leading to 100% spin-polarized carriers. Moreover these six compounds
should exhibit also high Curie temperatures and thus are suitable for
spintronics applications.Comment: Submitted to Applied Physics Letter