| Full text | |
| Author(s): |
Araujo, A. L.
;
de Lima, F. Crasto
;
Fazzio, A.
Total Authors: 3
|
| Document type: | Journal article |
| Source: | PHYSICAL REVIEW MATERIALS; v. 8, n. 12, p. 7-pg., 2024-12-05. |
| Abstract | |
Half-Heusler compounds are known for their various compositions and multifunctional properties including topological phases. In this paper, we investigate the topological classification of this class of materials based on the ordering of the P6 and P8 states, and a previously overlooked P6 & lowast; state, during an adiabatic expansion process. Using first-principles calculations based on density functional theory, we observed that the nontrivial topology is governed by a three-band mechanism. We provide a simple model derived from the k <middle dot> p Hamiltonian that interprets the topological phase in half-Heusler systems. Additionally, we explore the robustness of the topological phase under tension and a different perspective on the topological nature of half-Heusler compounds. (AU) | |
| FAPESP's process: | 22/08478-6 - Investigation of topological boundary states for design of quantum devices |
| Grantee: | Augusto de Lelis Araújo |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| FAPESP's process: | 23/12336-5 - Native defects and amorphous driven properties in 2D materials |
| Grantee: | Augusto de Lelis Araújo |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| 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 |
| 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: | 23/09820-2 - Materials by design: from quantum materials to energy applications |
| Grantee: | Gustavo Martini Dalpian |
| Support Opportunities: | Research Projects - Thematic Grants |