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Tytuł:
Band structure of ruthenate superconductors
Autorzy:
Dow, J.
Zolotovsky, A.
Powiązania:
https://bibliotekanauki.pl/articles/1934032.pdf
Data publikacji:
2011
Wydawca:
Politechnika Gdańska
Tematy:
band structure
superconductors
transition temperature
Opis:
We investigate the band structure of ruthenates using the first-principles method of density functional theory (DFT). We calculated the band structure and density of states at the Fermi level for superconductors Ba2YRuO6 and Sr2YRuO6. Our calculations show that the maximum critical superconducting transition temperature Tc=93K can be obtained for Ba2YRuO6.
Źródło:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2011, 15, 1; 99-105
1428-6394
Pojawia się w:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Understanding electron-positron momentum densities in solids : effect of the positron distribution
Autorzy:
Rubaszek, A.
Powiązania:
https://bibliotekanauki.pl/articles/147180.pdf
Data publikacji:
2015
Wydawca:
Instytut Chemii i Techniki Jądrowej
Tematy:
positron annihilation
electronic band structure
positron states
Opis:
The influence of the positron distribution on the electron-positron (e-p) momentum densities (MDs) is studied in terms of the l (l = s, p, d, f) character of the initial electronic state. The effect of the positron is discussed for momenta in the extended and reduced zone scheme on the example of Al (simple metal), Cu (metal with almost filled d shell), and Cr (transition metal). Present result indicates a weak sensitivity of the e-p MD inside the central Fermi surface to the positron charge density for the delocalized s and p electrons. In the case of d states, the effect of the positron on the relevant contribution to the e-p MD directly reflects the degree of localization of d electrons in the electron density of states.
Źródło:
Nukleonika; 2015, 60, No. 4, part 1; 759-763
0029-5922
1508-5791
Pojawia się w:
Nukleonika
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Decisiveness of the spectral gaps of periodic Schrodinger operators on the Dumbbell-like metric graph
Autorzy:
Niikuni, H.
Powiązania:
https://bibliotekanauki.pl/articles/254843.pdf
Data publikacji:
2015
Wydawca:
Akademia Górniczo-Hutnicza im. Stanisława Staszica w Krakowie. Wydawnictwo AGH
Tematy:
quantum graph
spectral gap
band structure
Hill operator
Opis:
In this paper, we consider periodic Schrodinger operators on the dumbbell-like metric graph, which is a periodic graph consisting of lines and rings. Let one line and two rings be in the basic period. We see the relationship between the structure of graph and the band-gap spectrum.
Źródło:
Opuscula Mathematica; 2015, 35, 2; 199-234
1232-9274
2300-6919
Pojawia się w:
Opuscula Mathematica
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Mössbauer effect studies of Dy(Fe0.4-xNixCo0.6)2
Autorzy:
Jabłońska, A.
Suwalski, J.
Stoch, P.
Pszczoła, J.
Guzdek, P.
Szamański, P.
Pańta, A.
Powiązania:
https://bibliotekanauki.pl/articles/148209.pdf
Data publikacji:
2007
Wydawca:
Instytut Chemii i Techniki Jądrowej
Tematy:
crystal structure
Mössbauer effect
hyperfine interaction
Slater-Pauling curve
band structure
Opis:
A consequence of the Fe/Ni substitution in the Dy(Fe0.4Co0.6)2 compound was studied in the present paper. For this purpose the synthesis and X-ray analysis (295 K) of the Dy(Fe0.4 xNixCo0.6)2 series were performed. The cubic, MgCu2-type, Fd3m crystal structure was observed across the series. 57Fe Mössbauer effect spectra for the series were collected at 77 K. The obtained crystallographic data and the hyperfine interaction parameters are presented. The magnetic hyperfine fields form a separate branch of the Slater-Pauling curve known for the Dy(Mn1 xFex)2 and Dy(Fe1 xCox)2 series. The data are qualitatively related to the Stoner model.
Źródło:
Nukleonika; 2007, 52, supl. 1; 55-58
0029-5922
1508-5791
Pojawia się w:
Nukleonika
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Preparation, magnetic studies and band structure calculation of NiFe2O4 nanoparticles
Autorzy:
Nabiyouni, G.
Fesharaki, M.
Zolotovsky, A.
Powiązania:
https://bibliotekanauki.pl/articles/1934031.pdf
Data publikacji:
2011
Wydawca:
Politechnika Gdańska
Tematy:
band structure calculation
nickel ferrite nanopowder
Curie temperature
spin-glass
Opis:
We have undertaken a comprehensive theoretical study of the band structure, density of states, dependence of the Curie point and saturation magnetization on the size of NiFe2O4 nanoparticles prepared by the conventional ceramic method. Commercially available NiFe2O4 powder was first annealed in an oxygen environment in a furnace at 1100oC for 3h. The X-ray diffraction pattern indicated that the sample was single-phase at this stage. The average grain size estimated by scanning electron microscopy (SEM) was in the range of 300 to 350nm. The magnetic behavior of the sample at room temperature was studied by means of a superconducting quantum interference device (SQUID). The Curie temperature of the nickel ferrite powder was measured using an LCR meter. The measurement of the Curie temperature and saturation magnetization indicated that a decrease in the grain size leads to a decrease in the Curie temperature and in the saturation magnetization. The small value of saturation magnetization was attributed to a spin-glass-like surface layer on the nanocrystalline nickel ferrite with a ferrimagnetically aligned core (H.Nathani and S.Gubbala 2004 J.Mater. Sci. and Engin. B 111 95). Good agreement was obtained between theory and experimental results.
Źródło:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2011, 15, 1; 107-119
1428-6394
Pojawia się w:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Simulation of optical spectra of novel Tl4CdI6 and Tl4HgI6 optoelectronic crystals
Autorzy:
Franiv, V
Bovgyra, O
Kushnir, O
Franiv, A
Plucinski, K J
Powiązania:
https://bibliotekanauki.pl/articles/173547.pdf
Data publikacji:
2014
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
density functional theory
band structure
density of states
optical properties
Opis:
The results of calculations using local density approximation and generalized gradient approximation: the total energy depending on the volume of the unit cell, the distribution of the total density of states and the partial contributions of electronic orbitals in the band structure of Tl4CdI6 and Tl4HgI6 crystals are shown in this paper. The spectra of the real part of the dielectric permittivity, the spectra of the imaginary part of permittivity, the reflection spectra and the absorption coefficient of both crystals are obtained using the Kramers–Kronig method. A comparative analysis of theoretical calculations with experimental data is carried out. Substantial influence of electron–phonon broadening is shown.
Źródło:
Optica Applicata; 2014, 44, 2; 317-326
0078-5466
1899-7015
Pojawia się w:
Optica Applicata
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Effect of Vacancies on Electronic and Magnetic Properties of Hydrogen Passivated Graphene Nanoribbons
Autorzy:
Haffad, S.
Benchallal, L.
Lamiri, L.
Boubenider, F.
Zitoune, H.
Kahouadji, B.
Samah, M.
Powiązania:
https://bibliotekanauki.pl/articles/1030793.pdf
Data publikacji:
2018-05
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
DFT
vacancies
AGNR
magnetic
passivated
electronic
charge transfer
band structure
Opis:
Using first-principles calculations we have demonstrated that electronic and magnetic properties of armchair graphene nanoribbons are modified by introducing vacancies defects. The equilibrium geometries, electronic, charge spin density distributions, electronic band structures, and magnetic moments were examined in the presence of vacancies. We have found that introducing vacancies into armchair graphene nanoribbons changes the spatial distribution of neighbor atoms, particularly those located around the vacancies. Our calculations showed that the vacancies have significant effect on the magnetization of armchair graphene nanoribbons. Magnetic moment values and electronic behavior in different configurations depend on the number of vacancies. These results suggest that vacancy defects can be used to modify the electronic and the magnetic properties of armchair graphene nanoribbons.
Źródło:
Acta Physica Polonica A; 2018, 133, 5; 1307-1313
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Mössbauer effect studies of Dy(Fe0.7-xNixCo0.3)2 intermetallics
Autorzy:
Jabłońska, A.
Suwalski, J.
Pszczoła, J.
Guzdek, P.
Stoch, P.
Pańta, A.
Powiązania:
https://bibliotekanauki.pl/articles/147231.pdf
Data publikacji:
2004
Wydawca:
Instytut Chemii i Techniki Jądrowej
Tematy:
intermetallics
crystal structure
57Fe Mössbauer effect
hyperfine interactions
Slater-Pauling curve
band structure
Opis:
Abstract A consequence of the Fe/Ni substitution in the series of Dy(Fe0.7 xNixCo0.3)2 was studied in the presented paper. The synthesis and X-ray analysis (300 K) of the Dy(Fe0.7 xNixCo0.3)2 system were performed. The cubic, MgCu2-type, Fd3m crystal structure was evidenced for this solid solution. 57Fe Mössbauer effect measurements for the system were carried out at 77 K. The obtained crystallographic lattice parameters and the hyperfine interaction data are presented. The magnetic hyperfine field values form a separate branch of the Slater-Pauling curve situated above the branch corresponding to the Dy(Fe1 xCox)2 intermetallics.
Źródło:
Nukleonika; 2004, 49,suppl.3; 85-88
0029-5922
1508-5791
Pojawia się w:
Nukleonika
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Structural and Electronic Properties of the BN, BP and BAs in the Different Phases of Zinc-Blende, NaCl and CsCl
Autorzy:
Bencherif, K.
Yakoubi, A.
Mebtouche, H.
Powiązania:
https://bibliotekanauki.pl/articles/1030312.pdf
Data publikacji:
2017-02
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
binary alloys
ab initio
lattice parameter
high pressure
band-structure
charge density
Opis:
In this work we used the first ab initio calculations to study the stability of the binary alloys BN, BP and BAs and their behavior in the different phases of zinc-blende, Nacl and CsCl. The full potential linearized augmented plane wave method was employed within density functional theory. Our results show the difference in the calculated structural properties and the band structure is obtained for the zinc-blende structure. We have investigated the lattice parameters and band gap energies. We also give the valence charge density at a high pressure and the analysis of the density of states.
Źródło:
Acta Physica Polonica A; 2017, 131, 2; 209-212
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The electronic properties of new Fe-based superconductors
Autorzy:
Kruchinin, S.
Antonchenko, V.
Zolotovsky, A.
Powiązania:
https://bibliotekanauki.pl/articles/1934012.pdf
Data publikacji:
2011
Wydawca:
Politechnika Gdańska
Tematy:
Fe-based superconductors
band structure
density of states
critical superconducting transition temperature
Opis:
We investigate the band structure of Fe-based superconductors using the first-principle method of density-functional theory. We calculated the band structure and the density of states at the Fermi level for ReFeAsO (Re = Sm, Dy, Ho, Er) superconductors. Our calculations indicate that the maximum critical superconducting transition temperature Tc will be observed for compounds with Sm and Er. We predict that Tc=60K for ErFeAsO.
Źródło:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2011, 15, 2; 203-208
1428-6394
Pojawia się w:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
Dostawca treści:
Biblioteka Nauki
Artykuł
Wyświetlanie 1-10 z 24

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