Citation
Abdullahi, Yusuf Zuntu and Lawal, Abdullahi and Lim, Thong Leng and Ahmad, Sohail (2022) Electronic and magnetic properties of RuTe2, Janus RuSTe and Mn−RuTe2 nanosheets: First-principles investigation. Materials Today Communications, 30. p. 103176. ISSN 2352-4928 Full text not available from this repository.
Official URL: https://doi.org/10.1016/j.mtcomm.2022.103176
Abstract
Motivated by the experimental success of Ru Se2 (Angew. Chem. Int. Ed. 60 2021) and 1T-CrTe2 (Nat. Commun 809 2021) sheets for hydrogen production and room-temperature ferromagnetism respectively, we investigate the effects of external factors, atomic substitutional doping and chemical functionalization on the ground state properties of Ru Te2 sheet. By using density functional theory (DFT) and DFT+ Hubbard U, we found that the Ru Te2 and Ru TSe sheets exhibit nonmagnetic semiconducting property whereas Mn-Ru Te2 sheet is a ferromagnetic metal with good stability.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Density functional theory, Electronic and magnetic properties, Adsorption property |
| Subjects: | T Technology > TK Electrical engineering. Electronics Nuclear engineering > TK7800-8360 Electronics |
| Divisions: | Faculty of Engineering and Technology (FET) |
| Depositing User: | Ms Nurul Iqtiani Ahmad |
| Date Deposited: | 03 Mar 2022 01:51 |
| Last Modified: | 03 Mar 2022 01:51 |
| URII: | http://shdl.mmu.edu.my/id/eprint/10007 |
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