Abstract
Complex studies of magnetic, electrical, and optical properties of V xFe1-xBO3 solid solutions are carried out in the entire range of concentrations between the extreme compounds VBO 3 and FeBO3. A concentration semiconductor-insulator transition accompanied by a change in the magnetic structure is observed. It is found that the physical properties of the solid solution under investigation differ from those predicted in the model of a virtual crystal in the form of an aggregate of V and Fe centers taken with the weight of A: and 1- x, respectively. The systems of electron energy levels of the VB6O 6 and FeB6O6 clusters are calculated from first principles using the Hartree-Fock method. The calculated electron structure forms the basis for simulating the optical absorption spectra, which are in good agreement with experimental results. A qualitative explanation is given for the entire body of data on electrical conductivity and magnetization.
Original language | English |
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Pages (from-to) | 299-306 |
Number of pages | 8 |
Journal | Journal of Experimental and Theoretical Physics |
Volume | 94 |
Issue number | 2 |
DOIs | |
State | Published - Feb 2002 |