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Electronic Structure and Transport Properties of UFe_{2} System

100%
Szlaferek A., Szajek A., Baszyński J., Smardz L., Kowalczyk A., Timko M.
Acta Physica Polonica A
|
2000
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vol. 97
|
issue 5
815-818
EN
The electronic structure of the UFe_{2} compound was studied by X-ray photoemission spectroscopy and ab initio self-consistent tight binding muffin tin orbital method. This compound crystallizes in a cubic Laves phase. The calculated valence band spectrum is characterized by two peaks due to U(5f) and Fe(3d) states. We have found a good agreement between the experimental valence band spectrum and theoretical ab initio calculations. The carrier concentration estimated from the Hall effect amounts to ≈10^{22} cm^{-3}.
2
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Effect of the Order on the Structural and Magnetic Properties of Fe-X (X=Al, Si) Alloys with B2 Structure

88%
Deniszczyk J.
Acta Physica Polonica A
|
2000
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vol. 98
|
issue 5
543-546
EN
Previous ab initio super-cell calculations of the magnetic properties of the ordered Fe_{1-x}Al_{x} alloy in the B2 structure are extended to include the disordered state of the alloy and completed with the calculations for ordered and disordered Fe_{1-x}Si_{x} alloys. The configurations of the Fe atoms in the anti-site (AS) positions of Fe-X super-cell with the antiferromagnetic order were found. The ground state of Fe_{1-x}Al_{x} with x≃ 0.3 shows the antiferromagnetic order of the Fe-AS magnetic moments. The concentration dependence of the equilibrium lattice parameter and magnetic moment of Fe_{1-x}X_{x} in the ordered and disordered state differ qualitatively.
3
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Influence of the Local Environment on the Magnetic Properties of the Ordered Fe_{1-x}Al_{x} Alloy

88%
Deniszczyk J.
Acta Physica Polonica A
|
2000
|
vol. 97
|
issue 3
583-586
EN
The electronic and magnetic properties of the ordered binary Fe_{1-x}Al_{x} alloy with the B2 crystal structure were calculated for Al concentrations x=0.1875-0.5 using the supercell structure. The calculations showed that for increasing Al contents the average magnetization of Fe_{1-x}Al_{x} falls down rapidly. Upon lowering the unit cell volume, almost all configurations of compositions with x ≥ 0.25 show the abrupt change of magnetic state from the high moment magnetic state to the low moment magnetic state with the moment reduction 0.6-0.8 μ_{B} per atom. The configurations were found for which the low moment magnetic state solutions with the antiferromagnetic alignment of magnetic moments of Fe atoms at antisite positions are stable.
4
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Influence of Local Environment on the Electronic Structure and Magnetic Properties of Ni_{1-x}Cu_{x}MnSb Alloys

75%
Jezierski A., Szytuła A.
Acta Physica Polonica A
|
2000
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vol. 97
|
issue 3
607-610
EN
The magnetic ordering in Ni_{1-x}Cu_{x}MnSb alloys changes from ferromagnetic (x=0) to antiferromagnetic (x=1). The X-ray and neutron diffraction showed that the systems crystallise in C1_{b} type structure. We present an influence of the local chemical ordering on the electronic and magnetic properties of Ni_{1-x}Cu_{x}MnSb alloys. The band structure and the magnetic moments were calculated by the spin-polarised linear muffin-tin orbital in the atomic sphere approximation method for the experimental values of the lattice parameters. The magnetic moment of Mn increases from 3.8 μ_{B} for x=0 to 4.18 μ_{B} for x=1.
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