Wszystkie pola: Svane, A. - Katalog OPAC zbiorów

Skocz do pozycji: 1.

Tytuł:: Calculations of Native Defects and Impurities in Cubic GaN Including High Pressure Effects
Autorzy:: Gorczyca, I.
Svane, A.
Christensen, Ν. E.
Powiązania:: https://bibliotekanauki.pl/articles/1933745.pdf
Data publikacji:: 1995-10
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 73.61.Ey
71.55.Eq
Opis:: Using the Green-function matrix technique based on the linear muffin-tin orbital method in the atomic-spheres approximation we perform self-consistent calculations of the electronic structure for native defects and impurities in cubic GaN. Native defects as N and Ga vacancies and antisites and substitutional impurities: Zn, C and Ge in different charge states are investigated. Resulting positions of the defect levels are compared with tight-binding and pseudopotential calculations. High pressure behavior is also studied in comparison with some other theoretical and experimental data.
Źródło:: Acta Physica Polonica A; 1995, 88, 4; 723-726
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 2.

Tytuł:: Calculations of Native Defects in Cubic AlN
Autorzy:: Gorczyca, I.
Svane, A.
Christensen, N. E.
Powiązania:: https://bibliotekanauki.pl/articles/1950799.pdf
Data publikacji:: 1996-10
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 73.61.Ey
71.55.Eq
Opis:: We have studied the electronic structure of native defects in cubic AlN. N and Al vacancies, antisites and interstitials are investigated in different charge states. We have performed first-principles calculations based on density-functional theory, using two methods. The first one is the Green-function technique based on the linear muffin-tin orbital method in the atomic-spheres approximation. Defects considered are all ideal substantial ones, i.e., no relaxation of the neighboring atoms is allowed for in this method. The results for aluminium vacancy and for nitrogen antisite are compared to the calculations using supercell approach and the full-potential linear muffin-tin orbital (the second method) with lattice relaxation included.
Źródło:: Acta Physica Polonica A; 1996, 90, 4; 793-796
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 3.

Tytuł:: Calculations of Point Defects in AlN and GaN; Lattice Relaxation Effects
Autorzy:: Gorczyca, I.
Christensen, N. E.
Svane, A.
Powiązania:: https://bibliotekanauki.pl/articles/1968105.pdf
Data publikacji:: 1997-10
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 73.61.Ey
71.55.Eq
Opis:: Native defects (vacancies, antisites and interstitials) and substitutional impurities (Mg, Zn, and C) in cubic GaN and AlN are studied by means of ab initio theoretical calculations. We examine the energetic positions of the defect levels and lattice relaxations effects. Whereas small relaxations are found in the case of vacancies, the calculations predict that large atomic displacements are associated with antisites. We also discuss the metastable behavior of the nitrogen antisite.
Źródło:: Acta Physica Polonica A; 1997, 92, 4; 785-788
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 4.

Tytuł:: Electronic Band Structure of In$\text{}_{x}$Ga$\text{}_{1-x}$N under Pressure
Autorzy:: Gorczyca, I.
Christensen, N. E.
Svane, A.
Laaksonen, K.
Nieminen, R. M.
Powiązania:: https://bibliotekanauki.pl/articles/2047377.pdf
Data publikacji:: 2007-08
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 71.15.Mb
71.55.Eq
71.20.-b
Opis:: The electronic band structures of zinc-blende In$\text{}_{x}$Ga$\text{}_{1-x}$N alloys with x varying from 0.03 to 0.5 are examined within the density functional theory. The calculations, including structural optimizations, are performed by means of the full-potential linear muffin-tin-orbital and pseudopotential methods. The effects of varying the composition, x, and of applying external pressure are studied. A composition-dependent band gap bowing parameter in the range of 1.6-2 eV is obtained. A strong nonlinearity in the composition dependence of the pressure coefficient of the band gap is found.
Źródło:: Acta Physica Polonica A; 2007, 112, 2; 203-208
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

Artykuł

Skocz do pozycji: 5.

Tytuł:: Electronic Structure and Optical Properties of GaAs$\text{}_{1-x}$N$\text{}_{x}$ and Ga$\text{}_{1-x}$B$\text{}_{x}$As Alloys
Autorzy:: Gonzalez Szwacki, N.
Bogusławski, P.
Gorczyca, I.
Christensen, N. E.
Svane, A.
Powiązania:: https://bibliotekanauki.pl/articles/2035594.pdf
Data publikacji:: 2002
Wydawca:: Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:: 71.20.Nr
78.20.Bh
Opis:: The electronic band structure of GaAs$\text{}_{1-x}$N$\text{}_{x}$ (x=0.016 and 0.031) and Ga$\text{}_{1-x}$B$\text{}_{x}$As (x= 0.031) is studied by ab initio calculations using a supercell approach. Based on ab initio calculations and group theory we present a comprehensive analysis of the electronic structure of GaAs:N and GaAs:B alloys. In particular, we study the effective mass of conduction electrons in GaAs:N as a function of pressure and the Fermi energy. We find that the lowest conduction band is strongly non-parabolic, which leads to an increase in the effective mass with the electron energy. The rate of the increase is enhanced by the hydrostatic pressure. Theoretical results are compared to experimental data, and a qualitative agreement is found.
Źródło:: Acta Physica Polonica A; 2002, 102, 4-5; 633-641
0587-4246
1898-794X
Pojawia się w:: Acta Physica Polonica A
Dostawca treści:: Biblioteka Nauki

Artykuł

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