Szczegóły publikacji
Opis bibliograficzny
Low temperature phase of
induced by the van der Waals interactions / Yadav Shivam, Sekh Sajid, Ptok Andrzej // Physical Review Materials. — 2025 — vol. 9, s. 034202, DOI 10.1103/PhysRevMaterials.9.034202.
Autorzy (3)
Słowa kluczowe
Dane bibliometryczne
| ID BaDAP | 7 |
|---|---|
| Tekst źródłowy | URL |
| DOI | 10.1103/PhysRevMaterials.9.034202 |
| Punktacja ministerialna | 70 |
| Rok publikacji | 2025 |
| Otwarty dostęp |  |
| Typ publikacji | artykuł |
| Czasopismo/seria | Physical Review Materials |
Abstract
AuSn4 is an example of a compound that exhibits topological properties. Recent XRD measurements reveal an ambiguous nature of the crystal structure, as it can be realized with either Aea2 or Ccca symmetry. Motivated by this, we analyze the dynamical stability of the compound. We discuss the role of van der Waals (vdW) corrections within the ab initio calculation. Interestingly, our main result indicates that AuSn4 can be unstable with both Aea2 and Ccca symmetries, due to the soft modes in the phonon spectra. From the soft mode analyses, we find a dynamically stable Pc structure. This structure always has smaller energy than Aea2 or Ccca crystal and it stays independent of the vdW correction. We also show the comparison of theoretical electronic properties with the experimental ARPES measurements. Our findings may be valuable in the future investigations of AuSn4-like compounds.
