Publications in Scientific Journals:

C. Gruber, P. Bedolla Velazquez, P. Mohn:
"Covalent magnetism and magnetic impurities";
Journal of Physics: Condensed Matter, 25 (2013), 1860021 - 1860026.

English abstract:
We use the model of covalent magnetism and its application to magnetic insulators applied to
the case of insulating carbon doped BaTiO3. Since the usual Stoner mechanism is not
applicable we study the possibility of the formation of magnetic order based on a mechanism
favoring singly occupied orbitals. On the basis of our model parameters we formulate a
criterion similar to the Stoner criterion but also valid for insulators. We describe the model of
covalent magnetism using a molecular orbital picture and determine the occupation numbers
for spin-up and spin-down states. Our model allows a simulation of the results of our ab initio
calculations for E.M/ which are found to be in very good agreement.

Created from the Publication Database of the Vienna University of Technology.