0587149 - FZÚ 2025 RIV CH eng J - Journal Article
Reiter, F. - Marmodoro, Alberto - Mardare, A. I. - Mardare, C. C. - Hassel, A.-W. - Ernst, A. - Hoffmann, M.
Revisiting electronic topological transitions in the silver–palladium (Ag_cPd_1−c) solid solution: an experimental and theoretical investigation.
Materials. Roč. 17, č. 11 (2024), č. článku 2743. ISSN 1996-1944. E-ISSN 1996-1944
R&D Projects: GA ČR(CZ) GA23-04746S
Institutional support: RVO:68378271
Keywords : Ag-Pd alloy * DFT calculation * concentration * electronic topological transitions (ETT)
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.1, year: 2023 ; AIS: 0.508, rok: 2023
Method of publishing: Open access
DOI: https://doi.org/10.3390/ma17112743

Multiple samples of the Ag_c,Pd_{1−c} solid solution were prepared using PVD over a borosilicate glass substrate. This synthesis technique allows continuous variation in stoichiometry, while the distribution of Ag or Pd atoms retains the arrangement into an on-average periodic lattice with smoothly varying unit cell parameters. The alloy concentration and geometry were measured over a set of sample points, respectively, via energy-dispersive X-ray spectroscopy and via X-ray diffraction. These results are compared with ab initio total energy and electronic structure calculations based on DFT, and using the CPA for an effective medium description of disorder. Lattice parameters appear in qualitative agreement with the measured trends. The numerical study of the Fermi surface also shows a variation in its topological features, which follow the change in Ag concentration. These were related to the electrical resistivity of the alloy.
Permanent Link: https://hdl.handle.net/11104/0354429