Ab initio and experimental studies of polarization and polarization related fields in nitrides and nitride structures
PBN-AR
Instytucja
Wydział Matematyczno-Przyrodniczy.Szkoła Nauk Ścisłych (Uniwersytet Kardynała Stefana Wyszyńskiego w Warszawie)
Informacje podstawowe
Główny język publikacji
en
Czasopismo
AIP Advances (25pkt w roku publikacji)
ISSN
2158-3226
EISSN
Wydawca
DOI
URL
Rok publikacji
2017
Numer zeszytu
1
Strony od-do
015027-1-26
Numer tomu
7
Link do pełnego tekstu
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Streszczenia
Język
en
Treść
Spontaneous and piezoelectric polarization in the nitrides is analyzed. The slab model was designed and proved to be appropriate to obtain the spontaneous polarization in AlN, GaN and InN. The spontaneous polarization and polarization related electric fields in AlN, GaN and InN were determined using DFT slab calculations. The procedure generates single value of spontaneous polarization in the nitrides. It was shown that Berry phase polarization may be applied to determination of spontaneous polarization by appropriate addition of polarization induced electric fields. The electric fields obtained from slab model are consistent with the Berry phase results of Bernardini et al. The obtained spontaneous polarization values are: 8.69*10(-3) C/m(2), 1.88*10(-3) C/m(2), and 1.96*10(-3) C/m(2) for AlN, GaN and InN respectively. The related Berry phase polarization values are 8.69*10(-2) C/m(2), 1.92*10(-2) C/m2, and 2.86*10(-2) C/m(2), for these three compounds, respectively. The GaN/AlN multiquantum wells (MQWs) were simulated using ab intio calculations. The obtained electric fields are in good agreement with those derived from bulk polarization values. GaN/AlN MQWs structures, obtained by MBE growth were characterized by TEM and X-ray measurements. Time dependent photoluminescence measurements were used to determine optical transition energies in these structures. The PL obtained energies are in good agreement with ab initio data confirming overall agreement between theoretical and experimental data. (C) 2017 Author(s).
Cechy publikacji
discipline:Fizyka
discipline:Physics
Original article
Original article presents the results of original research or experiment.
Oryginalny artykuł naukowy
Oryginalny artykuł naukowy przedstawia rezultaty oryginalnych badań naukowych lub eksperymentu.
Inne
System-identifier
PBN-R:819720
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