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In-Plane Magnetic Anisotropy in Hexagonal Systems

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چکیده ندارد.

The giant magnetic anisotropy energy of Fe+ ions in SrCl2.

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 (approximately 0.01-1 cm(-1)), can be found for the less common ion Fe+. In SrCl2:Fe+, the MAE is 93 cm(-1) when calculated using second-order perturbation multi-configurational calculations (CASPT2) while a similar value is f...

Competing structural instabilities in cubic perovskites.

We study the antiferrodistortive instability and its interaction with ferroelectricity in cubic perovskite compounds. Our first-principles calculations show that coexistence of both instabilities is very common. We develop a firstprinciples scheme to study the thermodynamics of these compounds when both instabilities are present, and apply it to SrTiO3. We find that increased pressure enhances ...

Giant magnetic anisotropy of single cobalt atoms and nanoparticles.

The isotropic magnetic moment of a free atom is shown to develop giant magnetic anisotropy energy due to symmetry reduction at an atomically ordered surface. Single cobalt atoms deposited onto platinum (111) are found to have a magnetic anisotropy energy of 9 millielectron volts per atom arising from the combination of unquenched orbital moments (1.1 Bohr magnetons) and strong spin-orbit coupli...