Structural and magnetic investigation of Fe3+ and Mg2+ substitution into the trigonal bipyramidal site of InGaCuO4

Recent Progresses in Ab Initio Electronic Structure Calculation toward Understandings of Functional Mechanisms of Biological Macromolecular Systems

“…Thus, we built small models including only the core atoms (i.e., Fe1, S Cys19 , S Cys17 , S1, and S2) in the presence and absence of the OH À and evaluated the total energy values of the models. The analysis revealed that the optimum spin states with the minimum total energies were composed of the high spin states of Fe ions, which is consistent with the previous experimental data [33].…”

Rational design, crystal structure, and frustrated magnetism of the Ge-containing YbFe2O4-type layered oxides In2Zn3−xCoxGeO8 (0 ≤ x ≤ 3)

“…Similar anisotropic lattice evolution was also documented previously for other YbFe 2 O 4 -type solid solutions, such as InFeMg 1−y Cu y O 4 , 25 InGaZn 1−y Cu y O 4 , 23 and InGaZn 1−y Co y O 4 . 22 The common chemical feature of these solid solutions is that the magnetic dopants (Cu 2+ and Co 2+ ) have a relatively lower electronegativity than those of the host cations (Mg 2+ and Zn 2+ ).…”

“…Fe 2+/3+ ions in RFe 2 O 4 can be substituted by various combinations of divalent Cu 2+ , Co 2+ , Zn 2+ , and Mg 2+ with trivalent Ga 3+ and Al 3+ cations, forming a large family of RFe 2 O 4 -type oxides with the general chemical formula RM1 2+ M2 3+ O 4 . 7–9,21–27 These oxides show intriguing magnetic, optical, and dielectric properties. Herein, we use tetravalent Ge 4+ ions in combination with divalent M 2+ (M = Cu, Co, Zn, and Mg) ions to design a new oxide series of R 2 M 3 GeO 8 .…”

“…All the above appealing physical properties have stimulated tremendous investigations on RFe 2 O 4 . Fe 2+/3+ ions in RFe 2 O 4 can be substituted by various combinations of divalent Cu 2+ , Co 2+ , Zn 2+ , and Mg 2+ with trivalent Ga 3+ and Al 3+ cations, forming a large family of RFe 2 O 4 -type oxides with the general chemical formula RM1 2+ M2 3+ O 4 [7][8][9][21][22][23][24][25][26][27]. These oxides show intriguing magnetic, optical, and dielectric properties.…”