Using the full-potential screened Korringa-Kohn-Rostoker method we study the full-Heusler alloys based on Co, Fe, Rh, and Ru. We show that many of these compounds show a half-metallic behavior; however, in contrast to the half-Heusler alloys the energy gap in the minority band is extremely small due to states localized only at the Co (Fe, Rh, or Ru) sites which are not present in the half-Heusler compounds. The full-Heusler alloys show a Slater-Pauling behavior and the total spin magnetic moment per unit cell ${(M}_{t})$ scales with the total number of valence electrons ${(Z}_{t})$ following the rule ${M}_{t}{=Z}_{t}\ensuremath{-}24.$ We explain why the spin-down band contains exactly 12 electrons using arguments based on group theory and show that this rule holds also for compounds with less than 24 valence electrons. Finally we discuss the deviations from this rule and the differences compared to the half-Heusler alloys.

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Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys

Simple rules for the understanding of Heusler compounds

CuO nanostructures: Synthesis, characterization, growth mechanisms, fundamental properties, and applications

In ferromagnetic conductors, an electric current may induce a transverse voltage drop in zero applied magnetic field: this anomalous Hall effect is observed to be proportional to magnetization, and thus is not usually seen in antiferromagnets in zero field. Recent developments in theory and experiment have provided a framework for understanding the anomalous Hall effect using Berry-phase concepts, and this perspective has led to predictions that, under certain conditions, a large anomalous Hall effect may appear in spin liquids and antiferromagnets without net spin magnetization. Although such a spontaneous Hall effect has now been observed in a spin liquid state, a zero-field anomalous Hall effect has hitherto not been reported for antiferromagnets. Here we report empirical evidence for a large anomalous Hall effect in an antiferromagnet that has vanishingly small magnetization. In particular, we find that Mn3Sn, an antiferromagnet that has a non-collinear 120-degree spin order, exhibits a large anomalous Hall conductivity of around 20 per ohm per centimetre at room temperature and more than 100 per ohm per centimetre at low temperatures, reaching the same order of magnitude as in ferromagnetic metals. Notably, the chiral antiferromagnetic state has a very weak and soft ferromagnetic moment of about 0.002 Bohr magnetons per Mn atom (refs 10, 12), allowing us to switch the sign of the Hall effect with a small magnetic field of around a few hundred oersted. This soft response of the large anomalous Hall effect could be useful for various applications including spintronics--for example, to develop a memory device that produces almost no perturbing stray fields.

Large anomalous Hall effect in a non-collinear antiferromagnet at room temperature

Magnetic Heusler alloys which undergo a martensitic transition display interesting functional properties. In the present review, we survey the magnetocaloric effects of Ni-Mn-based Heusler alloys and discuss their relation with the magnetic shape-memory and magnetic superelasticity reported in these materials. We show that all these effects are a consequence of a strong coupling between structure and magnetism which enables a magnetic field to rearrange martensitic variants as well as to provide the possibility to induce the martensitic transition. These two features are respectively controlled by the magnetic anisotropy of the martensitic phase and by the difference in magnetic moments between the structural phases. The relevance of each of these contributions to the magnetocaloric properties is analysed.

https://iopscience.iop.org/article/10.1088/0953-8984/21/23/233201/pdf

Magnetocaloric effect and its relation to shape-memory properties in ferromagnetic Heusler alloys

High resolution neutron powder diffraction and single crystal measurements on the ferromagnetic shape memory compound Ni2MnGa have been carried out. They enabled the sequence of transformations which take place when the unstressed, stoichiometric compound is cooled from 400 to 20 K to be established. For the first time the crystallographic structure of each of the phases which occur has been determined. At 400 K the compound has the cubic L21 structure, and orders ferromagnetically at TC ≈ 365 K. On cooling below ~ 260 K a super-structure, characterized by tripling of the repeat in one of the 110cubic directions, forms. This phase, known as the pre-martensitic phase, persists down to the structural phase transition at TM ≈ 200 K and can be described by an orthorhombic unit cell with lattice parameters aortho = 1/√2acubic, bortho = 3/√2acubic, cortho = acubic and space group Pnnm. Below TM the compound has a related orthorhombic super-cell with bortho ≈ 7/√2acubic, which can be described within the same space group. The new modulation appears abruptly at TM and remains stable down to at least 20 K.

https://iopscience.iop.org/article/10.1088/0953-8984/14/43/313/pdf

The crystal structure and phase transitions of the magnetic shape memory compound Ni2MnGa

The magnetization distributions in a series of ternary intermetallic compounds based on the composition Co2 YZ where Y is Ti, Mn or Fe and Z a subgroup-B element have been determined from polarized neutron diffraction measurements. Comparison of the magnetic structure factors with model calculations shows that the magnetization is associated principally with those atoms which in their elemental state are themselves magnetic. The observed deviations of the magnetic moment distributions from spherical symmetry have been used to deduce which of the 3d sub-bands are active at the Fermi energy. A small moment close to the limits of resolution is observed at some of the Z sites, together with a small delocalized moment which in most cases is negative. The results have been compared with the predictions of band models, which indicate that the Fermi level falls in a broad minimum in the minority-spin density of d states. Although the identity of the bands active at the Fermi surface is in broad agreement with predictions of band-structure calculations (Ishida S, Akazawa S, Kubo Y and Ishida J 1982 J. Phys. F: Met. Phys. 12 1111), the results suggest that there is a finite density of states in the minority-spin d band of manganese. Hence the compounds cannot be classified as half-metallic ferromagnets.

https://iopscience.iop.org/article/10.1088/0953-8984/12/8/325/pdf

The magnetization distributions in some Heusler alloys proposed as half-metallic ferromagnets

Polarized neutron scattering has been used to determine the changes in the distribution of unpaired electrons which take place in the martensitic transition in Ni2MnGa. Ni2MnGa is a ferromagnetic Heusler alloy which undergoes a reversible transition at about 220 K from a high temperature cubic phase to a low temperature tetragonal one. It has been suggested, on the basis of band structure calculations, that the structural phase transition is driven by a band Jahn-Teller distortion involving redistribution of electrons between 3d sub-bands of different symmetries. The results of the neutron scattering experiments show that the transition from the cubic to the tetragonal phase is accompanied by a transfer of magnetic moment from Mn to Ni. The unpaired electrons in the cubic phase have overall eg symmetry. In the tetragonal phase, the degeneracy of the eg and t2g bands is raised and the unpaired electrons are redistributed in such a way that the sub-bands based on orbitals extending towards the c-axis are preferentially occupied. Although the experimental moments differ in detail from those expected from band structure calculations, the change in symmetry of the magnetization distribution is consistent with a band Jahn-Teller origin for the phase transition.

https://iopscience.iop.org/article/10.1088/0953-8984/11/24/312/pdf

Direct observation of a band Jahn-Teller effect in the martensitic phase transition of Ni2MnGa

The newly developed technique of generalized polarization analysis has been used to re-examine the triangular magnetic structure of Mn3Sn. The magnitude and direction of the polarization of neutrons scattered by some mixed magnetic and nuclear Bragg reflections at 200 K have been measured for a range of different incident polarization directions using a zero-field polarimeter. The results have been used to discriminate between different models which have been proposed for the magnetic structure. The analysis shows unambiguously that a structure allowing three trigonal domains is necessary to account for the scattered polarizations. Of the models suggested up to now only the 'inverse triangle' structure satisfies this criterion. The manganese moment was determined to be 3.00(1) mu B much larger than the value (1.78 mu B) given by earlier measurements of the flipping ratios in an applied field. On cooling below 50 K the polarization analysis gave evidence for a transition to a magnetic structure with a significant ferromagnetically aligned moment parallel to (001).

https://iopscience.iop.org/article/10.1088/0953-8984/2/47/015/pdf

Determination of the magnetic structure of Mn3Sn using generalized neutron polarization analysis

CRYOPAD, a novel neutron polarimeter developed at ILL is described Using this cryogenic device, precise general polarization analysis could be readily accomplished up to large scattering angles Central to the method is the use of superconducting Meissner screens to establish clean magnetic segmentation and a “magnetic vacuum” sample chamber

P.J. Brown

Papers

The crystal structure and phase transitions of the magnetic shape memory compound Ni2MnGa

The magnetization distributions in some Heusler alloys proposed as half-metallic ferromagnets

Direct observation of a band Jahn-Teller effect in the martensitic phase transition of Ni2MnGa

Determination of the magnetic structure of Mn3Sn using generalized neutron polarization analysis

Zero field neutron polarimetry