Lithium halide monolayers: Structural, electronic and optical properties by first principles study
| Autor: | Atousa Dashti Moghadam, Jaafar Jalilian, Mandana Safari, Pegah Maskaneh |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Materials science
Graphene Wide-bandgap semiconductor Ionic bonding chemistry.chemical_element Halide 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics Electronic Optical and Magnetic Materials law.invention chemistry Chemical physics law 0103 physical sciences Monolayer Lithium Density functional theory 010306 general physics 0210 nano-technology Electronic band structure |
| Zdroj: | Physica E: Low-dimensional Systems and Nanostructures. 83:426-433 |
| ISSN: | 1386-9477 |
| DOI: | 10.1016/j.physe.2016.01.025 |
| Popis: | Using first principle study, we investigate the structural, electronic and optical properties of lithium halide monolayers (LiF, LiCl, LiBr). In contrast to graphene and other graphene-like structures that form hexagonal rings in plane, these compounds can form and stabilize in cubic shape interestingly. The type of band structure in these insulators is identified as indirect type and ionic nature of their bonds are illustrated as well. The optical properties demonstrate extremely transparent feature for them as a result of wide band gap in the visible range; also their electron transitions are indicated for achieving a better vision on the absorption mechanism in these kinds of monolayers. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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