| DC Field | Value | Language |
|---|
| dc.contributor.author | Gusakova, J. | - |
| dc.contributor.author | Tay, B. K. | - |
| dc.contributor.author | Wang, X. | - |
| dc.contributor.author | Shiau, L. L. | - |
| dc.contributor.author | Gusakov, V. E. | - |
| dc.contributor.author | Borisenko, V. E. | - |
| dc.date.accessioned | 2017-06-09T08:00:28Z | - |
| dc.date.available | 2017-06-09T08:00:28Z | - |
| dc.date.issued | 2017 | - |
| dc.identifier.citation | Band gap calculation of bulk and monolayer transition metal dichalcogenides with new GVJ-2E approach within DFT framework / J. Gusakova [and other]. // Physics, Chemistry and Application of Nanostructures. - Singapore: World Scientific, 2017 - pp. 50 53. | ru_RU |
| dc.identifier.isbn | 978-981-3224-52-0 | - |
| dc.identifier.uri | https://libeldoc.bsuir.by/handle/123456789/13218 | - |
| dc.description.abstract | We have calculated fundamental band gaps for bulk and monolayer transition metal dichalcogenides (TMDs: MoS2, MoSe2, WS2, and WSe2) with recently proposed by us GVJ-2e method. The calculated band gaps are in a good agreement with experimental ones for both bulk and monolayer TMDs, having mean absolute error (MAE) of about 0.03 eV. The errors of GVJ-2e method are significantly smaller than those of other widely used ones such as GW (MAE 0.35 eV) and hybrid functional HSE (MAE 0.17 eV). | ru_RU |
| dc.language.iso | en | ru_RU |
| dc.publisher | World Scientific | ru_RU |
| dc.subject | публикации ученых | ru_RU |
| dc.subject | nanostructures | ru_RU |
| dc.subject | dichalcogenides | ru_RU |
| dc.subject | DFT | ru_RU |
| dc.subject | Band gap calculation | ru_RU |
| dc.title | Band gap calculation of bulk and monolayer transition metal dichalcogenides with new GVJ-2E approach within DFT framework | ru_RU |
| dc.type | Article | ru_RU |
| Appears in Collections: | Публикации в зарубежных изданиях
|
