Magnetic hyperfine fields in the Heusler alloys Co2 YZ (Y=Sc,Ti, Hf,V, Nb; Z=Al,Ga, Si,Ge, Sn)

The magnetic hyperfine field acting on Ta at the non-magnetic transition element site has been investigated in the Heusler alloys Co₂(Sc, Hf, V)Sn, Co₂ScGa, Co₂(V, Nb)Al and Co₂Ti(Si, Ge) by TDPAC measurements utilizing the 133–482 keV gamma-gamma cascade in¹⁸¹Ta following the ^– decay of¹⁸¹Hf. An important conclusion is that the reduced mhf either on the non-magnetic transition element site or on the s-p element site depends mainly on the chemical nature of the non-magnetic transition element rather than any other factor, e.g. the local moment _Co of the alloy.Supported by a fellowship from CNPq.Supported by a fellowship from FAPESP.     

Sn hyperfine field trends in the Heusler alloys Co2Mn(Al,Si)

Hyperfine Interactions - The Sn hyperfine field in the series of Heusler alloys Co2MnAl0.98−xSixSn0.02 (x=0.00, 0.20, 0.40, 0.58, 0.78, 0.98) has been measured at 77 K using119Sn...     

Hyperfine magnetic fields at sp-sites in Co2YZ Heusler alloys

The systematics of hyperfine magnetic fields at sp impurities on the Z-sites in Co based Heusler alloys are investigated. New TDPAC measurements of Cd hyperfine fields are reported.     

Effect of hydrostatic pressure on the Curie temperature of the Heusler alloys Ni2MnZ(Z = Al,Ga, In,Sn and Sb)

The pressure derivative of the Curie temperature dT_c/dp of the Heusler alloys Ni₂MnZ(Z = Al, Ga, In, Sn and Sb) has been obtained from the results of temperature dependence of initial permeability under pressure up to about 6 kbar. For all alloys the Curie temperatures increase linearly with increasing pressure at the rate of dT_c/d_p: +0.7 K/kbar for Ni₂MnAl, +1.0 K/kbar for Ni₂MnGa, +0.9 K/kbar for Ni₂MnIn, +1.4 K/kbar for Ni₂MnSn and +4.1 K/kbar for Ni₂MnSb. On the basis of these results, the interatomic dependence of the exchange interaction for Heusler alloys is discussed. The magnetic susceptibilities of those alloys are also reported.     

Hyperfine magnetic field on Cd-111 in heusler alloys Co2MnZ (Z=Si,Ga, Ge,Sn)

The time differential perturbed angular correlation method has been used to measure, as a function of temperature, the hyperfine magnetic field at Cd sites in the Heusler alloys Co₂MnZ (Z=Si, Ga, Ge, Sn). The hyperfine fields, normalized to the total magnetic moment per formula unit, show an approximately linear trend toward more positive values with increasing lattice parameter.     

Site and probe dependence of hyperfine magnetic field in L21 Heusler alloys X2MnZ (X=Ni,Cu, Rh,Pd and Z=Ga,Ge, In,Sn, Pb)

Results of TDPAC and Mössbauer measurements of hyperfine magnetic fields in L2₁ Heusler alloys X₂MnZ are given. TDPAC utilized Cd-111 from In-111 at the Z site and Ag-111 at the X site, and Ru-99 from Rh-99 at the X site. Mössbauer studies utilized Sn-119 at the Z site or at the Mn site. A compilation of hmf values is presented, and estimates of the polarized electron density are given for 1 nn, 2 nn, and 3 nn of the Mn ions in these alloys.     

Electronic structures,magnetic properties and half-metallicity in Heusler alloys Zr2IrZ (Z = Al,Ga, In)

The electronic structures, magnetic properties and half-metallicity in Zr₂IrZ (Z = Al, Ga, In) alloys with the Hg₂CuTi-type structure were systematically investigated by using the first-principle calculations. Zr₂IrZ (Z = Al, Ga, In) alloys are predicted to be half-metallic ferrimagnets which are quite robust against hydrostatic strain and tetragonal deformation. The total magnetic moment of Zr₂IrZ (Z = Al, Ga, In) alloys mainly originates from the 4d electrons of Zr atoms and follows the conventional Slater-Pauling rule: M_t = Z_t−18. (M_t is the total magnetic moment per unit cell and Z_t is the valence concentration). The origin of the band gap for Zr₂IrZ (Z = Al, Ga, In) alloys is also well studied. Unconventionally, Zr₂Ir-based alloys contain element with 5d valence electrons, which implies a wider field to search for new half-metallic materials.     

Magnetic measurements on Heusler alloys Ni2(Ti,Mn)Sn and Co2(Ti,Mn)Sn

Magnetic measurements (temperature and field dependence) on Heusler alloys Ni₂(Ti, Mn)Sn and Co₂(Ti, Mn)Sn were performed in the ferro- and para-magnetic region. In both systems the composition range was from x = 0 to x = 1. All the Co₂(Ti, Mn)Sn samples are ferromagnetic; in the system Ni₂Ti_1?xMn_xSn for x ? 0.2. Our interpretation of the magnetic data differs from that of previous authors.     

Quaternary Heusler compounds Co(2-x)Rh(x)MnZ (Z = Ga, Sn, Sb): crystal structure, electronic structure, and magnetic properties

Within the huge family of Heusler compounds only a few quaternary derivatives are known that crystallize in the F43m space group. In this work, the yet unreported compounds CoRhMnZ (Z = Ga, Sn, Sb) and the alloy Co(0.5)Rh(1.5)MnSb were investigated in detail by experimental techniques and theoretical methods. The ab initio calculations predict the CoRhMnZ compounds to be half-metallic ferromagnets or to be close to the half-metallic ferromagnetic state. Calculations of the elastic constants show that the cubic structure is stable in compounds containing Mn. Both calculations and experiment reveal that Mn cannot be exchanged by Fe (CoRhFeGa). The low temperature magnetization of the compounds is in the range of 3.4-5.5 μ(B) depending on the composition. The best agreement between experiment and calculation has been achieved for CoRhMnSn (5 μ(B)). The other compounds are also cubic but tend to anti-site disorder. Compared to Co(2)MnSn it is interesting to note that the magnetic properties and half-metallicity are preserved when replacing one of the 'magnetic' Co atoms by a 'non-magnetic' Rh atom. This allows us to increase the spin-orbit interaction at one of the lattice sites while keeping the properties as a precondition for applications and physical effects relying on a large spin-orbit interaction. The Curie temperatures were determined from measurements in induction fields of up to 1 T by applying molecular field fits respecting the applied field. The highest Curie temperature was found for CoRhMnSn (620 K) that makes it, together with the other well defined properties, attractive for above room temperature spintronic applications.     

A first-principles study on the lower-valence coexisting Cr2TiX (X=Al, Ga, Si, Ge, Sn, Sb) Heusler alloys

The electronic, magnetic, and bonding properties of the Cr₂TiX (X=Al, Ga, Si, Ge, Sn, Sb) Heusler alloys have been investigated using first-principles calculations. The results show that Cr₂TiSb exhibits a half-metallic nature and Cr₂TiGa and Cr₂TiSn exhibit a nearly half-metallic nature. From analysis of the density of states and the electron density difference along the Ga→Sn→Sb series for sp atoms, we found that the Cr-Ti bond demonstrates covalent character with more or less the ionic and metallic nature. In addition, the Cr-Ti bonding strength increases along this series. All the compounds have a negative total magnetic moment, most of which are confined to the Cr atoms. There exists a 1.0μ_B increasing trend of the total moment along the III→IV→V main group for sp atoms, and only the total moment of Cr₂TiSb coincides well with the Slater-Pauling behavior.     

The first principle study of magnetic properties of Mn2WSn,Fe2YSn (Y=Ti,V), Co2YSn (Y=Ti,Zr, Hf,V, Mn) and Ni2YSn (Y=Ti,Zr, Hf,V, Mn) heusler alloys

The spin polarized electronic band structures, density of states (DOS) and magnetic properties of Mn₂WSn, Fe₂YSn (Y=Ti, V), Co₂YSn (Y=Ti, Zr, Hf, V, Mn) and Ni₂YSn (Y=Ti, Zr, Hf, V, Mn) huesler compounds are reported. The calculations are performed by using full-potential linearized augmented plane wave method (FP-LAPW) within density functional theory. The magnetic trend in these compounds is studied using values of magnetic moments, exchange interaction and calculated band gap. The results reveal that Mn₂WSn and Ni₂VSn show 100% spin polarization, Co₂YSn (Y=Ti, Zr, Hf, Mn), Fe₂YSn (Y=Ti, V), and Ni₂MnSn exhibit metallic nature and Ni₂YSn (Y=Ti, Zr, Hf) and Co₂VSn show semi-conducting behavior.     

Galvanomagnetic properties of Heusler alloys Co<Subscript>2</Subscript>Fe<Emphasis Type="Italic">Z</Emphasis> (Z = Al,Si, Ga,Ge, In,Sn, Sb)

The magnetization, Hall effect, and resistivity of Heusler alloys Co₂FeZ (where Z = Al, Si, Ga, Ge, In, Sn, and Sb are s- and p-elements) have been studied at T = 4.2 K in magnetic fields H ≤ 100 kOe. In strong fields (H > 20 kOe), magnetization can be described by the Stoner model. The normal R ₀ and anomalous R _S Hall effect coefficients have been determined. The coefficient RS is positive for almost all the studied alloys and represents a “linearly quadratic” resistivity function incorporating linear and quadratic terms. The constant R ₀ is negative for most alloys, and its absolute value is two or three orders of magnitude smaller than for R _S . The magnetoresistivity of the studied alloys does not exceed several percent and may be both positive and negative for different specimens.     

Ab-initio investigation of electronic properties and magnetism of half-Heusler alloys XCrAl (X=Fe, Co, Ni) and NiCrZ (Z=Al, Ga, In)

The electronic structures and magnetism of the half-Heusler alloys XCrAl (X=Fe, Co, Ni) and NiCrZ (Z=Al, Ga, In) have been investigated to search for new candidate half-metallic materials. Here, we predict that NiCrAl, and NiCrGa and NiCrIn are possible half-metals with an energy gap in the minority spin and a completely spin polarization at the Fermi level. The energy gap can be attributed to the covalent hybridization between the d states of the Ni and Cr atoms, which leads to the formation of bonding and antibonding peaks with a gap in between them. Their total magnetic moments are 1μ_B per unit cell; agree with the Slater-Pauling rule. The partial moment of Cr is largest in NiCrZ alloys and moments of Ni and Al are in antiferromagnetic alignment with Cr. Meanwhile, it is also found that FeCrAl is a normal ferromagnetic metal with a magnetic moment of 0.25μ_B per unit cell and CoCrAl is a semi-metal and non-magnetic.     

Local magnetic moments and hyperfine magnetic fields in Fe-M (M = Si, Sn) alloys at small metalloid concentrations

The main tendencies in the formation of local magnetic moments and hyperfine magnetic fields at Fe nuclei in Fe-Sn and Fe-Si alloys at low metalloid concentrations are analyzed on the basis of “first-principles” calculations. The results of calculations are compared with experimental data. The main differences between these alloys were proved to be due to the differences in their lattice parameters. It is shown that a significant contribution to the formation of the hyperfine field comes from the orbital magnetic moment and the Ruderman-Kittel-Kasuya-Yosida polarization, which depend on the impurity concentration and the distance to an impurity atom in the crystal lattice.     

Electronic structure and half-metallicity in Heusler alloys Fe2YB (Y=Ti, V, Mn, Cr)

The electronic structure and magnetic properties of B-based Heusler alloys Fe₂YB (Y=Ti, V, Cr and Mn) have been studied theoretically. These alloys are all ferrimagnets except for Fe₂VB. The latter has 24 valence electrons and is a paramagnetic semimetal. Fe₂CrB is predicted to be half-metals at equilibrium lattice constant. The spin polarization of Fe₂MnB is also quite high. The calculated total moments are 1.00 μ_B for Fe₂CrB and 2.04 μ_B for Fe₂MnB. In Fe₂CrB and Fe₂MnB, the total moments are mainly determined by the partial moment of Cr or Mn. The Fe moment is relatively small and antiparallel to that of Cr or Mn. Under uniform lattice distortion, the half-metallicity of Fe₂CrB is more stable than Fe₂MnB, which is related to the detailed DOS structure of them near E_F.     

Mössbauer measurement of the hyperfine magnetic field AT sp site in Heusler alloys Rh2 Mn Z (Z=In and Sb)

We have investigated the systematics of hyperfine magnetic field on a fixed probe at the Z-site in Heusler alloys Rh₂MnZ as the valence of Z (sp element) is varied. The hmf on¹¹⁹Sn in Rh₂MnIn_.98 ¹¹⁹Sn₀₂ has been measured at 293K and 77K. In Rh₂Mn_1.12Sb_.86 ¹¹⁹Sn_.02 the hmf on¹²¹Sb has been measured at 77 K, and on¹¹⁹Sn at 293 K and 77 K. The results are compared with the hmf on¹¹⁹Sn in Rh₂Mn Ge_.98 ¹¹⁹Sn_.02 Rh₂Mn Sn, and Rh₂Mn Pb_.98 ¹¹⁹Sn_.02.Supported by the University Research Council, University of CincinnatiSupported by the Natural Sciences and Engineering Research Council of Canada     

Onset of magnetism in concentrated ternary alloys II: Laves phase compounds A(Fe1-xBx)2 (A = Y,Zr, U; B = Mn,Co and Al)

The onset of magnetism as a function of concentration and the magnetic properties of nine ternary Laves phase systems A(Fe_1-xB_x)₂ (A=Y, Zr, U; B=Mn, Co and Al) are discussed in terms of homogeneous and heterogeneous models based on the SEW model and the Landau theory of phase transition of second order. A significant influence of the nomagnetic elements Y, Zr and U upon the Fe magnetic moment substituted by Mn, Co and Al is observed. Low temperature freezing phenomena affect the magnetization process around the critical concentration x_c in Y and Zr compounds while they seem to be of minor importance for the U systems. Comparing the magnetic properties of these nine systems implies that the magnetization process becomes more homogeneous in the sequence of Y-, Zr- and U(Fe, B)₂ compounds. This - together with volume considerations and the different magnetovolume effects observed as well as susceptibility measurements lead to the suggestion that the Fe moment tends to become more delocalized as one proceeds from Y to U compounds as a consequence of the growing extent to which Y, Zr, U d-electrons are hybridized with the 3d electrons. Furthermore, U can be regarded as tetravalent in these Laves phase compounds, except UAl₂, in which presumably an admixture of U³⁺ and U⁴⁺ occurs.