Autor: Jurczyk, A. - Katalog OPAC zbiorów

Skocz do pozycji: 1.

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

Skocz do pozycji: 2.

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

Skocz do pozycji: 3.

Tytuł:: The Electronic and Electrochemical Properties of the $LaNi_5$-Based Alloys
Autorzy:: Szajek, A.
Jezierski, A.
Nowak, M.
Jurczyk, M.
Powiązania:: https://bibliotekanauki.pl/articles/1810498.pdf
Data publikacji:: 2009-01
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 71.20.-b
81.20.Ev
Opis:: Mechanical alloying was used to synthesize $LaNi_5$-type hydrogen storage materials. X-ray diffraction analysis showed that, after 30 h milling, the starting mixture of the elements was decomposed into an amorphous phase. Following the annealing in high purity argon at 700°C for 0.5 h, X-ray diffraction confirmed the formation of the $CaCu_5$-type structures. The nanocrystalline materials were used as negative electrodes for a $Ni-MH_x$ battery. A partial substitution o Ni by Al or Mn in $LaNi_{5-x}M_x$ alloy leads to an increase in discharge capacity. On the other hand, the alloying elements such as Al, Mn and Co greatly improved the cycle life of $LaNi_5$ material. For example, in the nanocrystalline $LaNi_{3.75}Mn_{0.75}Al_{0.25}Co_{0.25}$ powder, discharge capacities of up to 258 mA h $g^{-1}$ (at 40 mA $g^{-1}$ discharge current) were measured. The band structure ab initio calculations showed that 3g sites are preferred by Al, Co, and Mn atoms in the unit cell.
Źródło:: Acta Physica Polonica A; 2009, 115, 1; 247-250
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

Artykuł

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