Electronic and magnetic properties of perovskite selenite and tellurite compounds: CoSeO3, NiSeO3, CoTeO3 , and NiTeO

Unique Structure-Induced Magnetic and Electrochemical Activity in Nanostructured Transition Metal Tellurates Co1 – xNixTeO4 (x = 0, 0.5, and 1)

“…An unprecedented situation in MTeO 4 would, however, require a separate neutron diffraction study. Following the correlative craze in the structural (or octahedral) distortions with the magnetic 55,56 and electrochemical properties 57,58 in different materials, the noted trend in the octahedral distortion (in CTO, CNTO, and NTO (Figure 9)) clearly shows the direct correlation of the proposed structure and the observed distortion with the observed magnetic and electrochemical behaviors. The distortion parameter (δd) is given by…”

“…35,36 Further, recent first-principles calculations suggest that the Jahn−Teller distortion of the octahedra is sensitive to the metal atom and is more substantial in the Cobased tellurites than in the corresponding Ni-based tellurites. 56 The calculations further demonstrate that Ni compounds show larger crystal field splitting, leading to stronger hybridization in Ni-based tellurites. The larger crystal field splitting is ascribed to the closeness (in energy) of Ni d states with O 2p bands leading to the stronger hybridization of the metal−ligand, which is consistent with stronger super-exchange due to e g −e g interactions with occupied t 2g states (for example, Figure 9).…”

“…Here, d n is the average M–O distance in a regular octahedron, and d is the average value that is observed experimentally. For instance, a substantial structural (octahedral) distortion in CTO (as compared to NTO (Table )) correlates well with the lower Néel temperature, which may be understood as the reduction of the AFM super-exchange interactions (via M–O–M), according to the Goodenough–Kanamori rules. , Further, recent first-principles calculations suggest that the Jahn–Teller distortion of the octahedra is sensitive to the metal atom and is more substantial in the Co-based tellurites than in the corresponding Ni-based tellurites . The calculations further demonstrate that Ni compounds show larger crystal field splitting, leading to stronger hybridization in Ni-based tellurites.…”

Facile Synthesis of Hierarchical CoSeO3‧2H2O Nanoflowers Assembled by Nanosheets as a Novel Anode Material for High-Performance Lithium-Ion Batteries

“…It is well-known that the morphologies of nanomaterials are dominated by the crystalline structure of initial seeds and external factors. As one kind of cobalt selenite, CoSeO 3 •2H 2 O, has a different crystal structure from other cobalt selenites [17,20,21]. Thus, it is reasonable to consider that CoSeO 3 •2H 2 O with a unique morphology would be obtained by rational design, and accordingly, the electrochemical performance would be improved.…”

Spinelectronic investigation of the quaternary vanadium fluoride Rb2NaVF6: Ab-initio method

“…Shabir et al studied the double perovskites system Ba 2 CoUO 6 and report half-metallic comportment, with a half-metallic gap G HM = 1.98 eV [10]. A. Rafi et al studied the perovskite selenide and tellurite compounds CoSeO 3 , CoTeO 3 , NiSeO 3 , and NiTeO 3 [11]. The half-Heusler Alloy MgCaB has been investigated by A.…”