Modeling local structure using crystal field and spin Hamiltonian parameters: the tetragonal FeK3+–OI2− defect center in KTaO3 crystal
P Gnutek, ZY Yang, C Rudowicz - Journal of Physics: Condensed …, 2009 - iopscience.iop.org
The local structure and the spin Hamiltonian (SH) parameters, including the zero-field-
splitting (ZFS) parameters D and (a+ 2F/3), and the Zeeman g factors and, are theoretically …
splitting (ZFS) parameters D and (a+ 2F/3), and the Zeeman g factors and, are theoretically …
The giant magnetic anisotropy energy of Fe+ ions in SrCl 2
P Garcia-Fernandez, F Senn, CA Daul… - Physical Chemistry …, 2009 - pubs.rsc.org
We show that values of the magnetic anisotropy energy (MAE), which are about two orders
of magnitude larger than the usual ones for transition metal cations in insulators (∼ 0.01–1 …
of magnitude larger than the usual ones for transition metal cations in insulators (∼ 0.01–1 …
High magnetic anisotropy of ions in and
A Trueba, P García-Fernández, F Senn, CA Daul… - Physical Review B …, 2010 - APS
The zero-field splitting constant, D, and the gyromagnetic tensor of the off-center systems
KTaO 3: Fe+ and SrCl 2: Fe+ have been explored by means of calculations based on the …
KTaO 3: Fe+ and SrCl 2: Fe+ have been explored by means of calculations based on the …
Pseudo-Jahn–Teller instability in the axial center in
A Trueba, P Garcia-Fernandez, MT Barriuso… - Physical Review B …, 2009 - APS
The nature of the axial Fe4/2 center in KTaO 3, detected by electron-paramagnetic
resonance experiments, has been a source of conflict until recently. Density-functional …
resonance experiments, has been a source of conflict until recently. Density-functional …
Off-centre motion in doped cubic oxides: A general view on the instability
The existence of an off-centre distortion for impurities in cubic oxides is explored by Density
Functional Theory calculations. We find that models based on ionic radii are inadequate to …
Functional Theory calculations. We find that models based on ionic radii are inadequate to …
Instabilities in doped materials driven by pseudo Jahn-Teller mechanisms
Substitution of a host lattice ion by an impurity can produce a spontaneous instability
lowering the initial local symmetry of the site. In some cases the impurity remains on-centre …
lowering the initial local symmetry of the site. In some cases the impurity remains on-centre …
Instabilities in Doped Materials Driven by Pseudo Jahn–Teller Mechanisms
P Garcı́a-Fernández, A Trueba… - The Jahn-Teller Effect …, 2009 - Springer
Substitution of a host lattice ion by an impurity can produce a spontaneous instability
lowering the initial local symmetry of the site. In some cases the impurity remains on-centre …
lowering the initial local symmetry of the site. In some cases the impurity remains on-centre …
High magnetic anisotropy of Fe+ ions in KTaO3 and SrCl2
Á Trueba Pérez, F Senn, CA Daul… - 2010 - repositorio.unican.es
The zero-field splitting constant, D, and the gyromagnetic tensor of the off-center system
KTaO3: Fe+ and SrCl2: Fe+ have been explored by means of calculations based on the …
KTaO3: Fe+ and SrCl2: Fe+ have been explored by means of calculations based on the …
[PDF][PDF] Professor Horst Köppel
AW Castleman Jr, JP Toennies, K Yamanouchi… - 2009 - researchgate.net
Substitution of a host lattice ion by an impurity can produce a spontaneous instability
lowering the initial local symmetry of the site. In some cases the impurity remains on-centre …
lowering the initial local symmetry of the site. In some cases the impurity remains on-centre …