Atomistic Modeling of Native Point Defects in Yttrium Aluminum Garnet Crystals

Atomistic Modeling of Native Point Defects in Yttrium Aluminum Garnet Crystals

Native point defects in yttrium aluminum garnet (YAG) are studied in the framework of the pair-potential approximation, coupled with the shell-model description of the lattice ions. For the perfect lattice, a new set of potential parameters is obtained; these parameters reproduce the structure, elastic, and dielectric constants of YAG very well. The calculated formulation energies for native de...

Yttrium Aluminum Garnet Laser Materials

Yttrium Aluminum Garnet Fibers from Metalloorganic Precursors

Mixtures of yttrium acetate hydrate (Y(O2CCH3)3?4H2O) and aluminum formate hydrate (Al(O2CH)3?3H2O in H2O) or yttrium isobutyrate (Y[O2CCH(CH3)2]3) and aluminum isobutyrate (Al[O2CCH(CH3)2]3) in tetrahydrofuran were used as precursors to process yttrium aluminum garnet (YAG, Al5Y3O12) fibers. The pyrolytic decomposition patterns of Al(O2CH)3?3H2O, Y(O2CCH3)3?4H2O, and a [3Y(O2CCH3)3?4H2O/5Al(O2...

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...

Three-photon absorption in Nd-doped yttrium aluminum garnet

This paper presents the results of a study of resonantly enhanced, three-, photon absorption in Nd-doped yttrium aluminum garnet (Y3Alg0~2) or Nd: YAG. The trivalent ions of the rare-earth elements, such as Nd'+, are characterized by energy levels which remain relatively sharp even in a crystalline environment, and thus crystalline solids doped with rare-earth ions present interesting systems i...