2021/06/15 by Haiyu Lu, Matteo Ross, Matteo Rossi +18
Chemistry · Materials Science · Physics and Astronomy · #Ab initio #Advanced Condensed Matter Physics #Atomic physics #Band gap #Brillouin zone #Chemistry #Condensed matter physics #Crystal structure #Crystallography #Ground state #Iron-based superconductors research #Monoclinic crystal system #Orthorhombic crystal system #Physics #Quantum mechanics #Rare-earth and actinide compounds #Valence (chemistry) #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.103.235159
published as Phys. Rev. B 103, 235159 (2021) · The manuscript has been accepted by Physical Review B
arxiv created 2021/06/15 · openalex created_date 2021/06/22 · openalex publication_date 2021/06/25 · arxiv updated 2021/06/30 · openalex updated_date 2026/08/05
Ta2NiSe5's candidacy as an excitonic insulator has remained unclear due to contradictory interpretations about its phase transition and the temperature evolution of its gap structure. Here, the authors use resonant inelastic x-ray scattering (RIXS) at both the Ta and Ni L edges to probe the excitation spectrum and evolution of the momentum-dependent gap. The results, which agree well with element-specific calculations of the joint density of states, place constraints on Ta2NiSe5, and highlight the role of the structural transition in sculpting the electronic structure.