2012
DOI: 10.1016/j.commatsci.2012.08.018
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Electronic structures and magnetism of Cr3Z (Z=Si, Ge, Sb) with DO3 structures

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Cited by 22 publications
(8 citation statements)
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“…In our calculations, the Rh 3 Z (Z¼ Al, Ga, In, Si, Ge, Sn, Pb, Sb) alloys were assumed to have DO 3 structure, similar to our previous work of Cr 3 Z (Z¼Si, Ge, Sb) in Ref. [18]. As in Heusler alloys, the Rh(A) and Rh(C) atoms have the same neighboring environment and they are surrounded by four Rh(B) and four Z atoms in a tetrahedral coordination.…”
Section: Resultsmentioning
confidence: 98%
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“…In our calculations, the Rh 3 Z (Z¼ Al, Ga, In, Si, Ge, Sn, Pb, Sb) alloys were assumed to have DO 3 structure, similar to our previous work of Cr 3 Z (Z¼Si, Ge, Sb) in Ref. [18]. As in Heusler alloys, the Rh(A) and Rh(C) atoms have the same neighboring environment and they are surrounded by four Rh(B) and four Z atoms in a tetrahedral coordination.…”
Section: Resultsmentioning
confidence: 98%
“…It is easier for antisites to occur in ternary Heusler alloys containing two kinds of 3d transition-metal element than the binary DO 3 -type alloys only containing one kind of transition-metal element. It is advantageous for maintaining a high spin polarization in the binary DO 3 -type alloys in practical fabrications [18].…”
Section: Introductionmentioning
confidence: 99%
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“…The electronic structure of D0 3 -Mn 3 Ge has not been reported till now. The calculated total magnetic moment 1.00 l B per formula unit for D0 3 -Mn 3 Ge (Table I) is a typical characteristic of HM magnets, which also obeys the Slater-Pauling behavior of binary D0 3 -type Heusler half-metals, 11 …”
Section: -Mn 3 Gementioning
confidence: 99%
“…1,[5][6][7] To overcome this flaw, some research groups attempted to design the binary Heusler alloys X 3 Z. [8][9][10][11][12] Because there is only one type of transition metal in X 3 Z, the binary Heusler alloys have slight disorder compared to the ternary ones. Experimental studies have indicated that the binary Heusler alloys Fe 3 Si and Fe 3 Al have the cubic D0 3 -type structure, 8,9 three Fe atoms occupy the A (0.25, 0.25, 0.25), B (0.5, 0.5, 0.5), and C (0.75, 0.75, 0.75) positions, and Al or Si atom occupies the D (0, 0, 0) position.…”
Section: Introductionmentioning
confidence: 99%