| Texto completo | |
| Autor(es): |
Tromer, Raphael M.
[1, 2]
;
Felix, Levi C.
[1, 2]
;
Woellner, Cristiano F.
[3]
;
Galvao, Douglas S.
[1]
Número total de Autores: 4
|
| Afiliação do(s) autor(es): | [1] Univ Estadual Campinas, Appl Phys Dept, BR-13083970 Campinas, SP - Brazil
[2] Univ Estadual Campinas, Ctr Computat Engn & Sci, BR-13083970 Campinas, SP - Brazil
[3] Univ Fed Parana, Phys Dept, UFPR, BR-81531980 Curitiba, Parana - Brazil
Número total de Afiliações: 3
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Chemical Physics Letters; v. 763, JAN 16 2021. |
| Citações Web of Science: | 0 |
| Resumo | |
Recently, a new 3D carbon allotrope named pentadiamond was proposed composed by mixed sp 2 and sp 3 like hybridization. In this work, we have carried out a detailed investigation of the electronic, optical and thermoelectric properties of pentadiamond structure using first-principles methods. Our results show that pentadiamond has an indirect bandgap semiconductor of 2.50 eV with GGA-PBE and 3.31 eV with HSE06. Its static dielectric constant is 4.70 and the static refractive index is 2.16. Pentadiamond presents low reflectivity, making it a good structure to be used as a UV collector. Also, pentadiamond is a material that presents good thermoelectric properties. (AU) | |
| Processo FAPESP: | 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais |
| Beneficiário: | Munir Salomao Skaf |
| Modalidade de apoio: | Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs |