Alloy-driven modulation of electronic, mechanical and optical properties in 2D BPN-Ga(1-x)AlxN monolayers
Yazarlar (6)
İlkay Özdemir Aydin Adnan Menderes University, Türkiye
Eren Ege Karacan Aydin Adnan Menderes University, Türkiye
Ethem Aktürk Aydın Adnan Menderes Üniversitesi, Türkiye
Prof. Dr. Gökhan GÖKOĞLU Karabük Üniversitesi, Türkiye
Johannes V. Barth Technische Universität München, Almanya
Olcay Üzengi Aktürk Aydın Adnan Menderes Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Materials Science and Engineering B (Q2) | ||
| Dergi ISSN | 0921-5107 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2025 |
| Cilt / Sayı / Sayfa | 319 / 1 / 8–0 | DOI | 10.1016/j.mseb.2025.118280 |
| Makale Linki | https://doi.org/10.1016/j.mseb.2025.118280 | ||
| UAK Araştırma Alanları |
Malzeme Fiziği
Yoğun Madde Fiziği
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| Özet |
| In the present work, we report the effects of alloying on the structural, electronic, mechanical, and optical properties of biphenylene (BPN)-Ga 1-x Al x N monolayers based on the density functional theory calculations. We found that the considered monolayers exhibit significant structural stability, as evidenced by their high cohesive energy and low lattice parameters, indicating a tight lattice and robust bonding network. Phonon dispersion analysis further confirms the dynamical stability of these monolayers, since no imaginary phonon modes were observed along the 2D Brillouin zone (BZ). The electronic band structure calculations indicate that all the systems under consideration are nonmagnetic direct gap semiconductors with a band gap located at Γ-point in BZ. Both standard PBE and hybrid HSE06 functionals were employed in the calculations to accurately investigate the electronic properties of the systems. The … |
| Anahtar Kelimeler |
| Al-rich monolayers | Biphenylene network | First principles calculations | GaN monolayers |
Science Direct
Alloy-driven modulation of electronic, mechanical and optical properties in 2D BPN-Ga(1-x)AlxN monolayers
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 1 |
| Scopus | 1 |
| Google Scholar | 2 |