| Yazarlar (6) |
Yelda Kadıoğlu
Aydın Adnan Menderes Üniversitesi, Türkiye |
|
İlkay Özdemir
Türkiye |
|
Olcay Üzengi Aktürk
Aydın Adnan Menderes Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
|
Ümit Akıncı
Dokuz Eylül Üniversitesi, Türkiye |
|
Ethem Aktürk
Aydın Adnan Menderes Üniversitesi, Türkiye |
| Özet |
| Atomistic exploration and electronic modification of 2D materials have been a central focus of research since the breakthrough of graphene. In the present study, we introduce and reveal the structure, stability and electronic features of novel RhX3 (X: Cl, Br, I) monolayer systems within the framework of density functional theory. Phonon dispersion spectra and equilibrium molecular dynamics calculations confirm the stability of the phases studied at room and elevated temperatures. The structures are slightly modified because of thermal excitations and maintain their stabilities up to 1000 K. We show that the electronic and magnetic nature of pristine monolayers can be tuned by external effects, i.e. both mechanically and electrically. RhCl3, RhBr3 and RhI3 monolayers are nonmagnetic and indirect-gap semiconductors intrinsically, but display indirect-to-direct band gap transitions at particular strain values. The systems gain a net magnetic moment and are transformed into metals by negative charging. The optical properties, such as the absorption coefficient, optical conductivity, energy loss spectrum, refractive index and extinction coefficient, are also presented. This interesting class of nanomaterials are promising candidates for several applications in nanotechnology and optoelectronics with good thermal stability, mechanical flexibility, and tunable electronic properties. |
| Anahtar Kelimeler |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
| Dergi ISSN | 1463-9076 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q1 |
| Makale Dili | İngilizce |
| Basım Tarihi | 02-2020 |
| Cilt No | 22 |
| Sayı | 8 |
| Sayfalar | 4561 / 4573 |
| Doi Numarası | 10.1039/c9cp06240h |
| Makale Linki | http://xlink.rsc.org/?DOI=C9CP06240H |
| Atıf Sayıları | |
| WoS | 6 |
| SCOPUS | 6 |
| Google Scholar | 8 |
