Electronic and magnetic states in the ordered compound VPd3 have been investigated with photoemission measurements and self-consistent band-structure calculations. The linear combination of muffin-tin orbitals method was used to study VPd3 in a hypothetical cubic crystal structure and the actual tetragonal crystal structure, and the calculations were performed for both paramagnetic and spin-polarized configurations. The results for the cubic structure are in agreement with earlier calculations, while the results from the tetragonal structure are in much better agreement with the photoemission and other measurements.
ASJC Scopus subject areas
- Condensed Matter Physics