Articolele autorului Diana Benea
Link la profilul stiintific al lui Diana Benea

Fully relativistic description of magnetic Compton profiles with an application to UFe2

The magnetic Compton profile of UFe2 has been calculated using the spin-polarized relativistic Korringa-Kohn-Rostoker band-structure method. For this purpose a corresponding fully relativistic scheme to determine the magnetic Compton profile has been developed. This approach accounts for magnetism as well as all relativistic effects on the same footing, as it is indispensable when dealing with the electronic structure of magnetic compounds containing

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Magnetic properties in ThCo4B system

A detailed theoretical investigation of the electronic and magnetic properties of ThCo4B system has been performed. The ThCo4B compound crystallizes in a hexagonal structure, space group P6/mmm with a = 5.008 angstrom and c = 7.003 angstrom. The ThCo4B system orders ferromagnetically under a Curie temperature of 303 K. The influence of the local environment on the magnitude of Co moments is discussed. Very good agreement of the calculated and the

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Magnetic behavior of iron in Tb1-xZrxFe2 compounds

The Tb1-xZrxFe2 compounds with x

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Electronic structure and magnetic properties of the ThCo4B compound

Detailed theoretical investigations of the electronic and magnetic properties of the newly discovered ThCo4B compound have been performed. The influence of the local environment on the magnitude of the Co magnetic moments is discussed by comparing the magnetic and electronic properties in the ThCo4B, YCo4B and ThCo5 systems. All theoretical investigations of the electronic and magnetic properties have been done using the Korringa-Kohn-Rostoker (KKR)

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Electronic structure and magnetic properties of the HoCo(5-X)Si(x) system

Detailed theoretical and experimental investigations of the electronic and magnetic properties of the HoCo(5-x)Si(x) Six compound (x = 0.5 and 1.0) have been performed. All theoretical investigations of the electronic and magnetic properties of the system have been done using the Korringa-Kohn-Rostoker (KKR) band structure method. The calculated magnetic moments range between 1.36 to 1.5 mu(B) per Co atom, depending on the crystal site. The calculations

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Effects of substitution of Ni by Sb in MnNi

The structural, electronic and magnetic structures of MnNi(1-x)Sb(x) alloys and compounds have been investigated by X-ray diffraction, X-ray photoelectron spectroscopy, magnetization and magnetic susceptibility measurements. The substitution of Ni by Sb leads to drastic changes both in the crystallographic and electronic structure, with remarkable modifications in the magnetic properties of the investigated systems. The most important feature of

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Finite-temperature magnetism of CrTe and CrSe

An investigation on the electronic and magnetic properties of NiAs-type CrTe and CrSe has been performed for ferromagnetic, antiferromagnetic and non-collinear spin configurations, using the spin-polarized relativistic KKR (Korringa-Kohn-Rostoker) band structure method. Calculated exchange coupling parameters, as well as the total energy calculated as a function of the tilt angle of magnetic moments, indicate the presence of a non-collinear spin

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Electronic structure and magnetic properties of RCo(5-x)M(x) (R=Y, Pr and M=Al, Si) system

Detailed theoretical and experimental investigations of the electronic and magnetic properties of the RCo(5-x)M(x) compounds (R=Y, Pr and M=Si, Al) have been performed. All theoretical investigations of the electronic and magnetic properties of the system have been done using the Korringa-Kohn-Rostoker (KKR) band structure method. The Si for Co substitution in RCo(5) does not change the magnetic ordering: the RCo(5-x)Si(x) with R=Y, Nd and Pr is

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Electronic structure and magnetic properties of the Th(x)Y(1-x)Co(4)B solid solution

Detailed theoretical and experimental investigations of the electronic and magnetic properties of the Th(x)Y(1-x)Co(4)B compounds have been performed. The neutron powder diffraction shows that by Th for Y substitution, Th atoms occupy preferentially one (1a) of the two Y sites (1a and 1b). The preferential occupation on 1a and 1b crystal sites investigated by theoretical calculations is in good agreement with powder neutron diffraction results. The

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Enhanced iron magnetic moment in the ThFe(11)C(2) intermetallic compound

Detailed theoretical investigations on the electronic and magnetic properties of the ThFe(11)C(2) compound have been performed using both the linear muffin-tin orbital and Korringa-Kohn-Rostocker methods of band structure calculation. The structure of the ThFe(11)C(2) compound has three inequivalent iron sites with different local environment. A strongly enhanced magnetic moment is observed on certain Fe positions, coexisting with much lower magnetic

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