Ab initio and experimental studies of polarization and polarization related fields in nitrides and nitride structures

Pawel Strak, Pawel Kempisty, Konrad Sakowski, Agata Kaminska, Dawid Jankowski, Krzysztof P. Korona, Kamil Sobczak, Jolanta Borysiuk, Mark Beeler, Ewa Grzanka, Eva Monroy, Stanislaw Krukowski

研究成果: Contribution to journalArticle査読

9 被引用数 (Scopus)

抄録

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/m2, 1.88*10-3 C/m2, and 1.96*10-3 C/m2 for AlN, GaN and InN respectively. The related Berry phase polarization values are 8.69*10-2 C/m2, 1.92*10-2 C/m2, and 2.86*10-2 C/m2, 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.

本文言語英語
論文番号015027
ジャーナルAIP Advances
7
1
DOI
出版ステータス出版済み - 1 1 2017
外部発表はい

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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