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    Wyświetlanie 1-14 z 14
    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 and Magnetic Properties of $Co_{3}V_{2}O_{8}$ Compound
    Autorzy:
    Jezierski, A.
    Szymczak, R.
    Szymczak, H.
    Kaczkowski, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1810487.pdf
    Data publikacji:
    2009-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.20.-b
    71.15.-m
    71.15.Ap
    71.15.Mb
    71.20.Be
    Opis:
    The band structures and the magnetic properties of $Co_{3}V_{2}O_{8}$ compound have been calculated by ab initio scalar-relativistic full potential local orbital method within the local spin density approximation. The band calculations were performed for para-, ferro-, and antiferromagnetic $Co_{3}V_{2}O_{8}$ compounds. The main contribution to the density of states at the Fermi energy comes from minority 3d states of cobalt atoms.
    Źródło:
    Acta Physica Polonica A; 2009, 115, 1; 238-240
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic Structure of Ternary Antimonides YbPdSb
    Autorzy:
    Hermanowicz, M.
    Jezierski, A.
    Kaczkowski, J.
    Kaczorowski, D.
    Powiązania:
    https://bibliotekanauki.pl/articles/1810476.pdf
    Data publikacji:
    2009-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.20.-b
    71.15.Ap
    71.15.Mb
    71.20.Eh
    71.20.Lp
    Opis:
    In this paper we present the electronic structure and magnetic properties of YbPdSb in low-temperature MgAsAg-type structure and high-temperature TiNiSi-type structure. The calculations were performed by ab initio full-relativistic full potential local orbital method within the local spin density approximation. Ab initio calculations showed the metallic character of YbPdSb compound in both structures. The density of states at the Fermi level is greater in high-temperature than in low-temperature structure.
    Źródło:
    Acta Physica Polonica A; 2009, 115, 1; 226-228
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Effect of Hydrogenation on the Electronic Structure of HoNiSn - Ab Initio Calculations
    Autorzy:
    Jezierski, A.
    Szajek, A.
    Jurczyk, M.
    Powiązania:
    https://bibliotekanauki.pl/articles/1537053.pdf
    Data publikacji:
    2010-08
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.20.-b
    71.15.Ap
    71.15.Mb
    71.20.Eh
    71.20.Lp
    Opis:
    The electronic and magnetic properties of HoNiSn alloy are studied by ab initio full relativistic full potential local orbital method within the local density approximation. The electronic structures are reported for two crystallographic structures: orthorhombic TiNiSi type and the hexagonal ZrNiAl-type structure. We also study the influence of hydrogenation on the electronic structure of $HoNiSnH_{0.66}$. Ab initio calculations have shown that in the both type of structures the Fermi level is located at the 4f peak of Ho, however we observed the modification of 3d peaks from nickel atoms below the Fermi energy. The hydrogenation leads to increase of the density of states at the Fermi level.
    Źródło:
    Acta Physica Polonica A; 2010, 118, 2; 346-349
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic Structure of $Mg_2Ni_{1-x}Cu_{x}$
    Autorzy:
    Jezierski, A.
    Jurczyk, M.
    Szajek, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1810475.pdf
    Data publikacji:
    2009-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.15.Mb
    71.20.Be
    Opis:
    Nanocrystalline $Mg_{2}Ni$ doped alloys are good materials for hydrogen storage. In this work we present the influence of the chemical disorder on the electronic structure of $Mg_{2}Ni_{1-x}Cu_{x}$ alloys for 0 < x < 0.2. The electronic structure was calculated by ab initio full potential scalar relativistic local-orbital method in the coherent potential approximation. We observe the change of the density of states near the Fermi energy.
    Źródło:
    Acta Physica Polonica A; 2009, 115, 1; 223-225
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic, Magnetic and Transport Properties of YCo$\text{}_{3}$B$\text{}_{2}$ Compound
    Autorzy:
    Kowalczyk, A.
    Jezierski, A.
    Smardz, L.
    Baszyński, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/2013655.pdf
    Data publikacji:
    2000-05
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    72.15.Eb
    75.20.En
    Opis:
    We studied the electronic, magnetic and transport properties of the hexagonal YCo$\text{}_{3}$B$\text{}_{2}$ compound. The electronic structure was studied by X-ray photoemission spectroscopy and ab initio self-consistent tight binding linear muffin tin orbital method. We found a good agreement between the experimental X-ray photoemission spectroscopy valence band spectra and theoretical calculations. Theoretical calculations showed that the YCo$\text{}_{3}$B$\text{}_{2}$ is a paramagnet in agreement with experimental results. Electrical resistivity at low temperatures shows a T$\text{}^{2}$ dependence, implying that the scattering by the spin fluctuactions is dominant in this temperature range.
    Źródło:
    Acta Physica Polonica A; 2000, 97, 5; 803-806
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic Structure of DyCo$\text{}_{5}$ and DyCo$\text{}_{3}$B$\text{}_{2}$ Compounds
    Autorzy:
    Jezierski, A.
    Kowalczyk, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/2028907.pdf
    Data publikacji:
    2001-10
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.20.-b
    72.15.Eb
    Opis:
    We study the electronic structure of the hexagonal DyCo$\text{}_{5}$ and DyCo$\text{}_{3}$B$\text{}_{2}$ compounds. The magnetic moments and the band structures were calculated by ab initio self-consistent tight binding linear muffin-tin orbital method within the atomic sphere approximation. These compounds crystallize in a hexagonal structure having the P6/mmm space group. The substitution of cobalt by boron atoms changes the local environment of remaining Co atoms and leads to the decrease in the local magnetic moments as well as in the Curie temperature.
    Źródło:
    Acta Physica Polonica A; 2001, 100, 4; 565-572
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    Tytuł:
    Electronic Structure and Magnetic Properties of $Ni_2MnGa_{1-x}Ge_{x}$ and Disordered $Ni_{2}MnSn$ Heusler Alloys
    Autorzy:
    Pugaczowa-Michalska, M.
    Jezierski, A.
    Dubowik, J.
    Kaczkowski, J.
    Powiązania:
    https://bibliotekanauki.pl/articles/1810489.pdf
    Data publikacji:
    2009-01
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.15.Mb
    71.20.Be
    71.20.-b
    Opis:
    In this work we present the influence of atomic disorder on the electronic and magnetic properties of $Ni_{2}MnGa_{1-x}Ge_{x}$ and $Ni_{2}MnSn$ Heusler alloys. Ab initio band calculations were performed for the experimental lattice parameters. We applied SPR-KKR-CPA methods in the local spin density approximation.
    Źródło:
    Acta Physica Polonica A; 2009, 115, 1; 241-243
    0587-4246
    1898-794X
    Pojawia się w:
    Acta Physica Polonica A
    Dostawca treści:
    Biblioteka Nauki
    Artykuł
    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:
    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:
    Orthorhombic Phase of $La_{0.5}Bi_{0.5}NiO₃$ Studied by First Principles
    Autorzy:
    Kaczkowski, J.
    Pugaczowa-Michalska, M.
    Jezierski, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1397031.pdf
    Data publikacji:
    2018-03
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.15.Mb
    71.20.-b
    71.20.Nr
    77.84.Bw
    Opis:
    The aim of presented first principles study of $La_{0.5}Bi_{0.5}NiO₃$ is to investigate electronic structure of orthorhombic phase Pbnm. The calculations show that metallicity and magnetism of the system are strongly related with hybridization between Ni 3d and O 2p. To improve the quality of the electronic structure description of the system, especially the treatment of correlation for the Ni 3d, we employ GGA, LDA, and GGA+U, LDA+U. The LSDA results give good agreement with experiment. Thus, the screening effects originating from the hybridized Ni 3d and O 2p electrons are sufficiently strong that they reduce the electronic correlations in the $La_{0.5}Bi_{0.5}NiO₃$, making it a weakly correlated metal.
    Źródło:
    Acta Physica Polonica A; 2018, 133, 3; 408-410
    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
    Tytuł:
    Electronic Structure of the Cubic Perovskites $BiMO_3$ (M = Al, Ga, In, Sc)
    Autorzy:
    Kaczkowski, J.
    Jezierski, A.
    Powiązania:
    https://bibliotekanauki.pl/articles/1399112.pdf
    Data publikacji:
    2013-11
    Wydawca:
    Polska Akademia Nauk. Instytut Fizyki PAN
    Tematy:
    71.15.Mb
    71.20.-b
    71.20.Nr
    77.84.Bw
    Opis:
    The electronic structure of four cubic perovskites were calculated by using density functional theory. For electronic structure calculations standard generalized gradient approximation and semilocal Tran-Blaha modified Becke-Johnson potential were used. Nonlocal hybrid Heyd-Scuseria-Ernzerhof functional was used to obtain lattice constants and bulk moduli. Standard generalized gradient approximation results are in good agreement with previous calculations but the band gap calculated within TB-mBJ are significally larger for all compounds. For $BiAlO_3$ this values are: 1.49 eV (GGA) and 2.47 eV (TB-mBJ), $BiGaO_3$: 1.23 eV (GGA) and 2.12 (TB-mBJ), BiInO_3: 0.06 eV (GGA) and 0.83 eV (TB-mBJ), BiScO_3: 0.70 eV (GGA) and 1.38 eV (TB-mBJ).
    Źródło:
    Acta Physica Polonica A; 2013, 124, 5; 852-854
    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
      Wyświetlanie 1-14 z 14

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