| Full text | |
| Author(s): |
Focassio, Bruno
[1, 2]
;
Schleder, Gabriel R.
[1, 3, 2]
;
de Lima, Felipe Crasto
[1, 4]
;
Lewenkopf, Caio
[5]
;
Fazzio, Adalberto
[1, 2, 4]
Total Authors: 5
|
| Affiliation: | [1] CNPEM, Brazilian Nanotechnol Natl Lab LNNano, BR-13083970 Campinas, SP - Brazil
[2] Fed Univ ABC UFABC, Ctr Nat & Human Sci, BR-09210580 Santo Andre, SP - Brazil
[3] Harvard Univ, John A Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 - USA
[4] CNPEM, Ilum Sch Sci, BR-13083970 Campinas, SP - Brazil
[5] Univ Fed Fluminense, Inst Fis, BR-24210346 Niteroi, RJ - Brazil
Total Affiliations: 5
|
| Document type: | Journal article |
| Source: | Physical Review B; v. 104, n. 21 DEC 10 2021. |
| Web of Science Citations: | 0 |
| Abstract | |
Crystalline Bi2Se3 is one of the most explored three-dimensional (3D) topological insulators with a 0.3 eV energy gap making it promising for applications. Its amorphous counterpart could bring to light new possibilities for large scale synthesis and applications. Using ab initio molecular dynamics simulations, we have studied realistic amorphous Bi2Se3 phases generated by different processes of melting, quenching, and annealing. Extensive structural and electronic characterizations show that the melting process induces an energy gap decrease ruled by growth of the defective local environments. This behavior dictates a weak stability of the topological phase to disorder, characterized by the spin Bott index. Interestingly, we identify the occurrence of topologically trivial surface states in amorphous Bi2Se3 that show a strong resemblance to standard helical topological states. Our results and methods advance the search of topological phases in 3D amorphous solids. (AU) | |
| FAPESP's process: | 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties |
| Grantee: | Adalberto Fazzio |
| Support Opportunities: | Research Projects - Thematic Grants |
| FAPESP's process: | 17/18139-6 - Machine learning for Materials Science: 2D materials discovery and design |
| Grantee: | Gabriel Ravanhani Schleder |
| Support Opportunities: | Scholarships in Brazil - Doctorate |
| FAPESP's process: | 19/04527-0 - Interface between crystalline topological insulators and 2D-trivial materials: defect proximity study |
| Grantee: | Bruno Focassio |
| Support Opportunities: | Scholarships in Brazil - Doctorate (Direct) |
| FAPESP's process: | 19/20857-0 - Two-dimensional materials and topological phases: prediction and control of its properties |
| Grantee: | Felipe David Crasto de Lima |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |