Influence of pressure on the properties of GaN/AlN multi-quantum wells – Ab initio study
PBN-AR
Instytucja
Instytut Wysokich Ciśnień Polskiej Akademii Nauk
Informacje podstawowe
Główny język publikacji
angielski
Czasopismo
Journal of Physics and Chemistry of Solids
ISSN
0022-3697
EISSN
Wydawca
Elsevier Ltd.
Rok publikacji
2016
Numer zeszytu
Strony od-do
100-117
Numer tomu
93
Identyfikator DOI
Liczba arkuszy
2,6
Słowa kluczowe
angielski
Semiconductors
Elastic properties
Electrical properties
Piezoelectricity
Superlattices
Streszczenia
Język
angielski
Treść
Pressure dependence of physical properties of GaN/AlN multi-quantum wells (MQWs) was investigated using ab intio calculations. The influence of pressure was divided into two main contributions: pressure affecting the properties of GaN and AlN bulk semiconductors and an influence on systems of polar quantum wells deposited on various substrates. An influence of hydrostatic, uniaxial, and tetragonal strain on the crystallographic structure, polarization (piezoelectricity), and the bandgap of the bulk systems is assessed using ab initio calculations. It was shown that when a partial relaxation of the structure is assumed, the tetragonal strain may explain an experimentally observed reduction of pressure coefficients for polar GaN/AlN MQWs. The MQWs were also simulated directly using density functional theory (DFT) calculations. A comparison of these two approaches confirmed that nonlinear effects induced by the tetragonal strain related to lattice mismatch between the substrates and the polar MQWs systems are responsible for a drastic decrease of the pressure coefficients of photoluminescence (PL) energy experimentally observed in polar GaN/AlGaN MQWs.
Inne
System-identifier
PX-58ca908bd5de41e3cc52ab07
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