First-Principles Study of Spin–Orbit Interactions in Bismuth Iron Garnet

First Principles Investigation of Ferromagnetism and Ferroelectricity in Bismuth Manganite

We present results of local spin density approximation (LSDA) pseudopotential calculations for the perovskite structure oxide, bismuth manganite (BiMnO3). The origin of the differences between bismuth manganite and other perovskite manganites is determined by first calculating total energies and band structures of the high symmetry cubic phase, then sequentially lowering the magnetic and struct...

Excitation of magnetic precession in bismuth iron garnet via a polarization-independent impulsive photomagnetic effect

First-principles Study of Iron Oxyfluorides and Lithiation of FeOF

First-principles studies of iron oxyfluorides in the FeF2 rutile framework (FeOxF2−x, 0 ≤ x ≤ 1) are performed using density functional theory (DFT) in the general gradient approximation (GGA) with a Hubbard U correction. Studies of O/F orderings reveal FeOF to be particularly stable compared to other FeOxF2−x (x 6= 1) structures, where FeF2–FeOF mixing is not energetically favored. The band ga...

Ce and La single- and double-substitutional defects in yttrium aluminum garnet: first-principles study.

The atomistic structure, energetics, and electronic structure of single-substitutional Ce and La defects and double-substitutional Ce-La defects in Ce,La-codoped yttrium aluminum garnet (YAG) Y(3)Al(5)O(12) have been studied by means of first-principles periodic boundary conditions density functional theory calculations. Single substitution of Y by Ce or by La produces atomistic expansions arou...

Optical and magnetooptical properties of bismuth and gallium substituted iron garnet films

A series of iron garnet films of composition Lu Bi Fe Ga O grown on (100) oriented GGG substrates have been studied 3yx x 5yy y 12 using variable angle spectroscopic ellipsometry and polar Kerr spectroscopy (MOKE). The diagonal and off-diagonal components of the permittivity tensor have been determined in the range 1–5 eV. Our results seem to be in accordance with previously reported measuremen...