Crystal field parameters and energy level structure of the MnO43− tetroxo anion in Li3PO4, Ca2PO4Cl and Sr5(PO4)3Cl crystals

Comparative analysis of crystal field effects and energy level scheme of six-fold coordinated Cr4+ ion in the pyrochlores, Y2B2O7 (B=Ti4+, Sn4+)

“…ECM has been successfully applied for the calculations of energy level of rare earth ions ( [14,17,18] and references therein) and transition metal ions ( [19][20][21][22][23] and references therein).…”

Advances in Near-Infrared Luminescent Materials without Cr3+: Crystal Structure Design, Luminescence Properties, and Applications

“…(e) Schematic of a mixed valence distribution diagram in oxide matrixes. (f) PL spectra of Ca 14 Zn 6 Ga 10 O 35 :Mn under 350 nm excitation, and photoluminescence emission spectrum of Ba 2 (VO 4 ) 3 :0.01Mn samples under 330 nm excitation is measured as a reference. , Part a was reproduced with permissions from ref . Copyright 2019 Springer Nature .…”

On standardization of low symmetry crystal fields

“…As previously, we have to eliminate first three of the 27 CF parameters, namely, RB 21 IB 21 and IB 22 by suitable rotations if we start with all 27 parameters. The full CFP set may appear not only in ab initio calculations, but it can also be generated by simplified phenomenological models based on the idea of so-called intrinsic parameters: the angular overlap model [24,25], superposition model [26,1], simple overlap model [27] or exchange charge model [28,35]. The Euler angles of the rotation R ( , , ) α β γ that transforms the coordinate system can be obtained simply by demanding: …”