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Matter"],"published-print":{"date-parts":[[2025,6,23]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>We study the electronic structure of Ta<jats:sub>2<\/jats:sub>NiSe<jats:sub>5<\/jats:sub> in its low-temperature semiconducting phase, using resonant inelastic x-ray scattering (RIXS) at the Ta <jats:italic>L<\/jats:italic>\n                  <jats:sub>3<\/jats:sub> edge. We also investigate the electronic properties of Ta<jats:sub>2<\/jats:sub>NiSe<jats:sub>5<\/jats:sub> within the density-functional theory (DFT) using the generalized gradient approximation in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. While ARPES, dc transport, and optical measurements indicate that Ta<jats:sub>2<\/jats:sub>NiSe<jats:sub>5<\/jats:sub> is a small band-gap semiconductor, DFT gives a metallic nonmagnetic solution in Ta<jats:sub>2<\/jats:sub>NiSe<jats:sub>5<\/jats:sub>. To obtain the semiconducting ground state in Ta<jats:sub>2<\/jats:sub>NiSe<jats:sub>5<\/jats:sub> we use a self-interaction-like correction procedure by introducing an orbital-dependent potential <jats:italic>V<jats:sub>l<\/jats:sub>\n                  <\/jats:italic> into the Hamiltonian. We investigate theoretically the x-ray absorption spectroscopy and RIXS spectra at the Ni and Ta <jats:italic>L<\/jats:italic>\n                  <jats:sub>3<\/jats:sub> edges and analyze the spectra in terms of interband transitions. We also investigate the RIXS spectra as a function of momentum transfer vector <jats:bold>Q<\/jats:bold> and incident photon energy.<\/jats:p>","DOI":"10.1088\/1361-648x\/addf9f","type":"journal-article","created":{"date-parts":[[2025,6,2]],"date-time":"2025-06-02T22:55:11Z","timestamp":1748904911000},"page":"255501","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Electronic structure and resonant inelastic x-ray scattering in Ta<sub>2<\/sub>NiSe<sub>5<\/sub>"],"prefix":"10.1088","volume":"37","author":[{"given":"D A","family":"Kukusta","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"L V","family":"Bekenov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A N","family":"Yaresko","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"K","family":"Ishii","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3492-2025","authenticated-orcid":true,"given":"T","family":"Takayama","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"H","family":"Takagi","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3410-1582","authenticated-orcid":true,"given":"V N","family":"Antonov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"266","published-online":{"date-parts":[[2025,6,11]]},"reference":[{"key":"cmaddf9fbib1","doi-asserted-by":"publisher","first-page":"57","DOI":"10.1146\/annurev-conmatphys-020911-125138","volume":"5","author":"Witczak-Krempa","year":"2014","journal-title":"Annu. 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