Stable monolayer honeycomb like structures of RuX2 X S Se
Yazarlar (5)
Fati̇H Ersan Adnan Menderes Üni̇Versi̇Tesi̇, Türkiye
Seymur Jahangirov İHsan Doğramaci Bi̇Lkent Üni̇Versi̇Tesi̇, Türkiye
Prof. Dr. Gökhan GÖKOĞLU Karabük Üniversitesi, Türkiye
Angel Rubio Max Planck Institute For The Structure And Dynamics Of Matter
Prof. Dr. Ethem Aktürk Adnan Menderes Üni̇Versi̇Tesi̇, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
|
||
| Dergi Adı | Physical Review B (Q2) | ||
| Dergi ISSN | 2469-9950 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İNgilizce | Basım Tarihi | 10-2016 |
| Cilt / Sayı / Sayfa | 94 / 15 / 155415–0 | DOI | 10.1103/PhysRevB.94.155415 |
| Makale Linki | http://link.aps.org/doi/10.1103/PhysRevB.94.155415 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
|
||
| Özet |
| Recent studies show that several metal oxides and dichalcogenides , which exist in nature, can be stable in two-dimensional (2D) form and each year several new structures are explored. The unstable structures in (hexagonal) or (octahedral) forms can be stabilized through Peierls distortion. In this paper, we propose new 2D forms of and materials. We investigate in detail the stability, electronic, magnetic, optical, and thermodynamic properties of 2D structures from first principles. While their and structures are unstable, the distorted structures are stable and have a nonmagnetic semiconducting ground state. The molecular dynamic simulations also confirm that systems are stable even at 500 K without any structural deformation. and have indirect band gaps with 0.745 eV (1.694 eV with HSE) and 0.798 eV (1.675 eV with HSE … |
| Anahtar Kelimeler |
| Atıf Sayıları | |
| Web of Science | 36 |
| Scopus | 37 |
| Google Scholar | 39 |