Electronic structure and magnetic exchange coupling in ferromagnetic full Heusler alloys

Density-functional studies of the electronic structures and exchange interaction parameters have been performed for a series of ferromagnetic full Heusler alloys of general formula ${\mathrm{Co}}_{2}\mathrm{Mn}Z$ $(Z=\mathrm{Ga},\mathrm{Si},\mathrm{Ge},\mathrm{Sn})$, ${\mathrm{Rh}}_{2}\mathrm{Mn}Z$ $(Z=\mathrm{Ge},\mathrm{Sn},\mathrm{Pb})$, ${\mathrm{Ni}}_{2}\mathrm{Mn}\mathrm{Sn}$, ${\mathrm{Cu}}_{2}\mathrm{Mn}\mathrm{Sn}$, and ${\mathrm{Pd}}_{2}\mathrm{Mn}\mathrm{Sn}$, and the connection between the electronic spectra and the magnetic interactions have been studied. Different mechanisms contributing to the exchange coupling are revealed. The band dependence of the exchange parameters, their dependence on volume and valence electron concentration have been thoroughly analyzed within the Green function technique. The difference between the exact adiabatic approach and the long-wavelength approximation is discussed.

[1]  S. H. Vosko,et al.  Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis , 1980 .

[2]  M. Julliere Tunneling between ferromagnetic films , 1975 .

[3]  A. Freeman,et al.  Co2MnX (X=Si, Ge, Sn) Heusler compounds: An ab initio study of their structural, electronic, and magnetic properties at zero and elevated pressure , 2002 .

[4]  H. Wijn Alloys and compounds of 3d elements with main group elements , 1991 .

[5]  Vladimir Antropov,et al.  First-principles exchange interactions in Fe, Ni, and Co , 1999 .

[6]  D. G. Laurent,et al.  Magnetic susceptibility and spin waves in ferromagnetic metals , 1981 .

[7]  Vladimir Antropov,et al.  Aspects of spin dynamics and magnetic interactions , 1999 .

[8]  Jürgen Kübler,et al.  Formation and coupling of magnetic moments in Heusler alloys , 1983 .

[9]  O. K. Andersen,et al.  Linear methods in band theory , 1975 .

[10]  Shoji Ishida,et al.  Theoretical search for half-metalliic films of Co2MnZ (Z Si, Ge) , 1998 .

[11]  S. Ishida,et al.  A Half-Metallic Band Structure and Fe2MnZ (Z=Al, Si, P) , 1995 .

[12]  Gurney,et al.  Giant magnetoresistive in soft ferromagnetic multilayers. , 1991, Physical review. B, Condensed matter.

[13]  K.H.J. Buschow,et al.  New Class of Materials: Half-Metallic Ferromagnets , 1983 .

[14]  R. Dronskowski,et al.  Electronic structure, chemical bonding, and spin polarization in ferromagnetic MnAl , 2003 .

[15]  Ove Jepsen,et al.  Explicit, First-Principles Tight-Binding Theory , 1984 .

[16]  H. Masumoto,et al.  New Compounds of the Cl b , Cl Types of RhMnSb, IrMnSn and IrMnAl, New L2 1 (Heusler) Type of Ir 2 MnAl and Rh 2 MnAl Alloys, and Magnetic Properties , 1972 .

[17]  Risto M. Nieminen,et al.  Structural properties of magnetic Heusler alloys , 1999 .

[18]  A. Hamzić,et al.  The transport properties of Heusler alloys: 'ideal' local moment ferromagnets , 1981 .

[19]  N. Papanikolaou,et al.  Slater-Pauling behavior and origin of the half-metallicity of the full-Heusler alloys , 2002 .

[20]  Y. Ishikawa,et al.  Differing degrees of itinerancy in 3d alloys revealed by measurements of neutron spin wave scattering , 1977 .

[21]  Kinder,et al.  Large magnetoresistance at room temperature in ferromagnetic thin film tunnel junctions. , 1995, Physical review letters.

[22]  V. A. Gubanov,et al.  Exchange interactions and spin-wave stiffness in ferromagnetic metals , 1984 .

[23]  Landrum,et al.  The Orbital Origins of Magnetism: From Atoms to Molecules to Ferromagnetic Alloys. , 2000, Angewandte Chemie.

[24]  Ishida,et al.  Hyperfine fields and electronic structures of the Heusler alloys Co2MnX (X=Al, Ga, Si, Ge, Sn) , 1990 .

[25]  Richard Dronskowski,et al.  Itinerant Ferromagnetism and Antiferromagnetism from a Chemical Bonding Perspective , 2002 .

[26]  Shoji Ishida,et al.  Search for Half-Metallic Compounds in Co2MnZ (Z=IIIb, IVb, Vb Element) , 1995 .

[27]  Y. Ishikawa,et al.  Spin Waves in Heusler Alloys Pd2MnSn and Ni2MnSn , 1976 .

[28]  O. Heusler Kristallstruktur und Ferromagnetismus der Mangan‐Aluminium‐Kupferlegierungen , 1934 .