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Tytuł:
Electronic Structure of Pt$\text{}_{1-x}$Mn$\text{}_{x}$ and Pt$\text{}_{1-x}$Cr$\text{}_{x}$ Disordered Alloys
Autorzy:
Jezierski, A.
Powiązania:
https://bibliotekanauki.pl/articles/1924282.pdf
Data publikacji:
1992-12
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.25.Pi
75.10.Lp
Opis:
Electronic density of states of disordered fcc Pt$\text{}_{1-x}$Mn$\text{}_{x}$ and Pt$\text{}_{1-x}$Cr$\text{}_{x}$ alloys for 0 < x < 0.35 is calculated by the tight-binding linear muffin-tin orbital (TB LMTO) and the coherent potential approximation (CPA) method. Using the Stoner model it was found that the disordered Pt-Mn and Pt-Cr alloys are paramagnetic.
Źródło:
Acta Physica Polonica A; 1992, 82, 6; 983-992
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 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 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:
DFT+U Calculations of Transition Metal Doped AlN
Autorzy:
Kaczkowski, J.
Jezierski, A.
Powiązania:
https://bibliotekanauki.pl/articles/1791351.pdf
Data publikacji:
2009-11
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.20.-b
71.20.Nr
71.55.-i
71.55.Eq
71.55.Ak
75.30.Hx
75.50.Pp
Opis:
The electronic structure of transition metal (TM = V, Cr, Mn, Fe) doped aluminium nitride was presented. The calculations were made within the DFT and DFT+U approach and the supercell approximation. The effective interaction parameter Hubbard U for mentioned compounds was determined within linear response approach in contrast to the other type of calculations which treated this factor as an adjustable parameter.
Źródło:
Acta Physica Polonica A; 2009, 116, 5; 924-926
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Magnetism in FeRh Alloys
Autorzy:
Pugacheva, M.
Jezierski, A.
Powiązania:
https://bibliotekanauki.pl/articles/1861254.pdf
Data publikacji:
1994-01
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.25.Pi
75.10.Lp
Opis:
We study the electronic and magnetic properties of FeRh ordered alloys. The electronic structure is calculated by the tight-binding linear muffin-tin orbital method. We observe the decreasing magnetic moment with increase of the ratio c/a during the structural phase transformation from CsCl to CuAu type structure.
Źródło:
Acta Physica Polonica A; 1994, 85, 1; 219-221
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Electronic Structure of the Ni$\text{}_{3}$Al and Ni$\text{}_{3}$Ga Alloys
Autorzy:
Wosicki, P.
Jezierski, A.
Powiązania:
https://bibliotekanauki.pl/articles/1887737.pdf
Data publikacji:
1991-06
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.25.Pi
Opis:
The results of ab-initio calculations of the electronic density of states and band electronic structure of the Ni$\text{}_{3}$Al and Ni$\text{}_{3}$Ga alloys are presented.. The calculations are performed with the use of the linear-muffin-tin-orbital (LMTO) method in the atomic sphere approximation. The Barth-Hedin parametrization of the local density exchange correlation energy is used.
Źródło:
Acta Physica Polonica A; 1991, 79, 6; 895-904
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:
Ab Initio Calculations of Magnetic Properties of Wurtzite Al_{0.9375}TM_{0.0625}N (TM = V, Cr, Mn, Fe, Co, Ni)
Autorzy:
Kaczkowski, J.
Jezierski, A.
Powiązania:
https://bibliotekanauki.pl/articles/1810523.pdf
Data publikacji:
2009-01
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.20.-b
71.20.Nr
71.55.-i
71.55.Eq
71.55.Ak
Opis:
The electronic structure of transition metal (TM) doped aluminium nitride was presented. The calculations were made within density functional theory and supercell approximation. It was found that the ferromagnetic ground states were possible without additional dopants in V-, Cr-, Mn-doped AlN.
Źródło:
Acta Physica Polonica A; 2009, 115, 1; 275-277
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Band Gap Stability in Kondo Insulators
Autorzy:
Ślebarski, A.
Jezierski, A.
Zygmunt, A.
Powiązania:
https://bibliotekanauki.pl/articles/2011220.pdf
Data publikacji:
2000-01
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.20.-b
71.20.Eh
Opis:
We report on magnetic measurements and electronic structure investigations of CeNiSn and CeRhSb. Both belong to the group of Kondo insulators. The magnetic susceptibility shows the nonmagnetic ground state for these compounds and their alloys. The 3d X-ray photoemission spectroscopy spectra show evidence for the mixed valence state of Ce in CeRhSb alloys, as also seen for CeNiSn, whereas the spectra for the La substituted (Ce,La)NiSn compounds show only evidence for a pure Ce$\text{}^{3+}$ ground state. We suggest the presence of Kondo-hole states in (Ce,La)RhSb. The location of the pseudogap in CeRhSb varies with the number of free electron, the valence of Ce, and the f-d hybridization. We discuss the similar crystallographic properties and the closed electronic structures of ZrNiSn-type semi-Heusler alloys and CeNiSn-type Kondo insulators.
Źródło:
Acta Physica Polonica A; 2000, 97, 1; 59-70
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:
Magnetisation of Co/Ti Multilayers
Autorzy:
Smardz, K.
Smardz, L.
Jezierski, A.
Powiązania:
https://bibliotekanauki.pl/articles/2013084.pdf
Data publikacji:
2000-03
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
75.70.-i
75.30.Et
Opis:
We studied experimentally and theoretically the magnetisation of the Co/Ti multilayers. The results showed that the magnetic moments on Co atoms located at the Co-Ti interface are strongly reduced. For d$\text{}_{Ti}$=0.35 nm the estimated effective non-magnetic Co thickness at the Co-Ti interface amounts ≈ 0.08 nm and ≈ 0.1 nm at 4 K and 295 K, respectively. We found a good agreement between experimentally determined and theoretically calculated magnetisations.
Źródło:
Acta Physica Polonica A; 2000, 97, 3; 507-510
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 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 and Magnetic Properties of $La_{1-x}Ce_{x}Pb_3$ and $La_{1-x}Pr_{x}Pb_3$ Alloys
Autorzy:
Jezierski, A.
Kaczkowski, J.
Cichorek, T.
Powiązania:
https://bibliotekanauki.pl/articles/1207412.pdf
Data publikacji:
2014-01
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
71.20.-b
71.20.Eh
71.20.Gj
75.20.Hr
Opis:
The electronic structure and magnetic properties of $La_{1-x}Ce_{x}Pb_3$ and $La_{1-x}Pr_{x}Pb_3$ are studied using the spin-polarized relativistic Korringa-Kohn-Rostoker coherent potential approximation method within the local spin density approximation. The calculated density of states at the Fermi level increases with the increase of the concentration. The dependence of spin and orbital magnetic moments of $La_{1-x}Ce_{x}Pb_3$ and $La_{1-x}Pr_{x}Pb_3$ (0 < x < 1) on the concentration is also reported. The densities of states at the Fermi energy are dominated by Ce(Pr) $4f_{5/2}$ and $4f_{7/2}$ states.
Źródło:
Acta Physica Polonica A; 2014, 125, 1; 111-114
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Wyświetlanie 1-15 z 33

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