The electronic structure of novel high-pressure and high-temperature phases of Mn₂O₃: exploring perovskite and ilmenite-type structures

Abstract

Novel manganese phases termed Perovskite ζ-Mn2O3 and Ilmenite ε-Mn2O3 have been synthesized under high-pressure and high-temperature conditions. We employ x-ray absorption and x-ray emission spectroscopy techniques to explore the electronic...

Investigating the electronic properties of novel titanium oxonitridophosphate, Ti5P12N24O2, through structural distortions at the titanium sites

“…This difference in the onset is due to the metal center Ti 3d orbitals experiencing different ligand field strength around their atomic site. 15 The pre-edge behavior is primarily governed by the magnitude of the crystal field strength (10Dq), which varies for different oxidation states of an element and the hybridization between the metal center Ti 3d and ligand nitrogen 2p orbitals. The XAS spectra of Ti 5 P 12 N 24 O 2 and TiN also differ due to the presence of the peak between L 2 -and L 3 -edge at 460.5 eV, as well as the broad shoulder at the L 2 -edge (see S3 in ESI †).…”

“…RIXS is particularly valuable for investigating the distortion leading to lifting the degeneracy of the 3d orbitals in transition metal. [14][15][16][17][18][19][20] Using this methodology, we successfully ascertain the specific crystallographic symmetry of the titanium sites. Consequently, we also quantify the degree of lattice distortion present.…”

“…RIXS is particularly valuable for investigating the distortion leading to lifting the degeneracy of the 3d orbitals in transition metal. 14–20…”