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    Wyświetlanie 1-7 z 7
    Tytuł:
    Electronic Structure and Optical Properties of $Ce_{1-x} La_x Pt In$ (0
    Autorzy:
    Jezierski, A.
    Szytuła, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1398671.pdf
    Data publikacji:
    2016-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.15.Ap
    71.15.Mb
    71.20.Eh
    71.23.-k
    Opis:
    The electronic structure of $Ce_{1-x} La_{x} Pt In$ is studied by means of ab initio full-potential local orbital basis (coherent potential approximation) (FPLO-CPA) and spin polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR-CPA) methods within the densities functional methodologies. In both methods, we have observed decrease of the density of states at the Fermi level versus of La concentration. The theoretical photoemission spectra of LaPtIn and CePtIn are compared with the experimental data and the agreement is good. We have also reported the optical properties of LaPtIn and CePtIn compounds obtained in GGA and GGA+U approximation.
    Źródło:
    Acta Physica Polonica A; 2016, 129, 1; 109-112
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Influence of Local Environment on the Electronic Structure and Magnetic Properties of Ni$\text{}_{1-x}$Cu$\text{}_{x}$MnSb Alloys
    Autorzy:
    Jezierski, A.
    Szytuła, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/2013241.pdf
    Data publikacji:
    2000-03
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    31.15.Ar
    31.15.Ew
    71.15.Mb
    71.15.-m
    71.15.La
    71.20.-b
    71.20.Be
    Opis:
    The magnetic ordering in Ni$\text{}_{1-x}$Cu$\text{}_{x}$MnSb alloys changes from ferromagnetic (x=0) to antiferromagnetic (x=1). The X-ray and neutron diffraction showed that the systems crystallise in C1$\text{}_{b}$ type structure. We present an influence of the local chemical ordering on the electronic and magnetic properties of Ni$\text{}_{1-x}$Cu$\text{}_{x}$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$\text{}_{B}$ for x=0 to 4.18 μ$\text{}_{B}$ for x=1.
    Źródło:
    Acta Physica Polonica A; 2000, 97, 3; 607-610
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic Structure and Thermodynamic Properties of RNi₅Sn (R = La, Ce, Pr, Nd) Compounds
    Autorzy:
    Jezierski, A.
    Kaczkowski, J.
    Szytuła, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1385161.pdf
    Data publikacji:
    2015-02
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.15.Mb
    71.20.Eh
    64.30.Ef
    65.40.Ba
    Opis:
    The electronic structure, pressure and temperature dependence of thermodynamic properties of RNi₅Sn (R = La, Ce, Pr, Nd) compounds are calculated by ab initio full potential local orbital minimum-base(ver. 9 and ver. 14) method. These compounds crystallize in the hexagonal crystal structure (space group $P6_{c}$/mmc, No. 194). The band calculations were performed in the scalar-relativistic mode for the exchange correlation potentials in the form of the Perdew-Burke-Ernzerhof general gradient approximation. In this work we present the band structures of LaNi₅Sn, CeNi₅Sn, NdNi₅Sn and PrNi₅Sn compounds. The thermodynamic properties (bulk modulus, Debye temperature) are calculated in the Debye-Grüneisen model using the equation of states in the form of Birch-Murnaghan, Poirier-Tarantola and Vinet. Our results have shown that values of thermodynamic properties depend on the method of calculations.
    Źródło:
    Acta Physica Polonica A; 2015, 127, 2; 257-259
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic Structure of CePtIn and LaPtIn Compounds
    Autorzy:
    Jezierski, A.
    Penc, B.
    Szytuła, A.
    Winiarski, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1419892.pdf
    Data publikacji:
    2012-07
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.20.-b
    71.20.Lp
    71.27.+a
    79.60.-i
    Opis:
    The electronic structure of the ternary RPtIn (R = La, Ce) compounds, which crystallize in the hexagonal ZrNiAl-type structure, was studied by X-ray photoelectron spectroscopy measurements and calculation using the ab initio methods (linear muffin-tin orbital in the atomic sphere approximation, full potential linear muffin-tin orbital, full potential linear orbital). The results showed that the valence band in these compounds is formed by the Pt 5d and In 5s and 5p states. The band calculations with spin-orbit coupling have shown that the Ce 4f peaks consist of two peaks above the Fermi level that correspond to the $Ce 4 f_{7/2}$ and $4 f_{5/2}$ doublet and wide peaks corresponding to the La 4f states. The analysis of Ce 3d spectra on the basis of the Gunnarsson-Schönhammer model gives hybridization of 4f orbitals with the conduction electron band equal to 170 meV.
    Źródło:
    Acta Physica Polonica A; 2012, 122, 1; 212-215
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Magnetic Properties of the $Mn_5Si_3$ Compound
    Autorzy:
    Leciejewicz, J.
    Penc, B.
    Szytuła, A.
    Jezierski, A.
    Zygmunt, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1813176.pdf
    Data publikacji:
    2008-04
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.20.Lp
    75.25.+z
    75.50.Ee
    Opis:
    The magnetic and powder neutron diffraction data indicate a complex magnetic structure of $Mn_5Si_3$. This compound has the hexagonal D8_8 crystal structure at room temperature. The Mn atoms occupy two nonequivalent sublattices. Two phase transitions, at 60 and 106 K, are observed. The first one is between a non-collinear AF1 and a collinear AF2 magnetic structure, the second one is between the collinear AF2 structure and a paramagnetic state. At 106 K the crystal structure changes from the hexagonal to the orthorhombic one. The values of the Mn magnetic moment in both structures were calculated by different ab initio methods. The results of the calculations are compared with the values of the Mn magnetic moment determined experimentally in this work and presented in the previous ones.
    Źródło:
    Acta Physica Polonica A; 2008, 113, 4; 1193-1203
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic and Transport Properties of Ragsn (R=Ce,Pr,Nd,Dy) Compounds
    Autorzy:
    Fus, D.
    Ivanov, V.
    Jezierski, A.
    Penc, B.
    Szytuła, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/2014428.pdf
    Data publikacji:
    2000-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.20.-b
    72.15.Eb
    79.60.-i
    Opis:
    The electronic structure of the ternary RAgSn (R=Ce,Pr,Nd,Dy) compounds which crystallize in the hexagonal LiGaGe-type structure was studied by X-ray photoemission spectroscopy. Core-levels and valence bands were investigated. The X-ray photoemission spectroscopy valence bands are compared with the ones calculated using the spin-polarized tight-binding linear muffin-tin orbital method. The obtained results indicate that the valence bands are mainly determined by the Ag 4d band. The spin-orbit splitting values Δ$\text{}_{SO}$ determined from the XPS spectra of 3d$\text{}_{5}\text{}_{/}\text{}_{2}$ and 3d$\text{}_{3}\text{}_{/}\text{}_{2}$ are equal to 18.8eV for R= Ce, 20.2eV for R = Pr and 22.6eV for R = Nd. The analysis of these spectra on the basis of the Gunnarsson-Schönhammer model gives a hybridization of f orbitals with the conduction band. The calculation of the total energy for two models of the crystal structure: an ordered of the LiGaGe-type and a disordered one of the CaIn$\text{}_{2}$-type indicate that in these compounds the LiGaGe-type structure is stable. Additionally, the temperature dependences of the electrical resistivity of CeAgSn and DyAgSn are investigated. At high temperatures the resistivity is not a linear function of temperature which indicates an electron-phonon interaction in the presence of a small s-d scattering, whereas at low temperatures anomalies connected with the magnetic phase transitions are observed.
    Źródło:
    Acta Physica Polonica A; 2000, 98, 5; 571-586
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Photoemission Electronic States of (Mn$\text{}_{1-x}$Fe$\text{}_{x}$)$\text{}_{5}$Si$\text{}_{3}$
    Autorzy:
    Penc, B.
    Zalecki, R.
    Jezierski, A.
    Szytuła, A.
    Kołodziejczyk, A.
    Ivanov, V.
    Powiązania:
    https://bibliotekanauki.pl/articles/2043378.pdf
    Data publikacji:
    2005-06
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    79.60.-i
    71.20.Gj
    71.15.Ap
    Opis:
    The core-level and valence band electronic states studies of single crystalline transition metal silicides (Mn$\text{}_{1-x}$Fe$\text{}_{x}$)$\text{}_{5}$Si$\text{}_{3}$ (x=0 and 0.05) by the X-ray and ultraviolet photoemission spectroscopies are reported. The Mn 2p core-level spectra for both compounds were ascribed to the relevant Mn sites in their crystal structure. The valence band spectra were compared with the result of ab-initio band calculations using the tight-binding linear muffin-tin orbital method. It was concluded that the enhancement of the spectral density within the 2 eV binding energy region below the Fermi energy comes from the effect of strongly correlated Mn 3d electrons.
    Źródło:
    Acta Physica Polonica A; 2005, 107, 6; 967-976
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
      Wyświetlanie 1-7 z 7

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