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First Principles Linear Response Calculations Of Lattice Dynamics, Cheng-Zhang Wang
First Principles Linear Response Calculations Of Lattice Dynamics, Cheng-Zhang Wang
Dissertations, Theses, and Masters Projects
First principles calculations, using the density-functional theory and particularly the local density approximation (LDA), have achieved remarkable success in studying the properties of solid state systems. Although the basic results of these calculations are the electronic structures (eigenvalues, eigenfunctions, etc.) and the total energy of ground state, many other related physical properties can be deduced from them by investigating their response under external perturbations. Using the linear response method with linearized-augmented-plane-wave (LAPW) basis, we have calculated lattice dynamical properties of important semiconductors CuCl, SiC and ferroelectric KNbO{dollar}\sb3.{dollar} CuCl is known to exhibit large anharmonic effects and possibly a complicated multi-well …
The Characterization Of The Radiative Energy Transfer Process Among Holmium(3+) Ions In Yttrium(3) Aluminum(5) Oxygen(12), Terri Lynn Lazarus
The Characterization Of The Radiative Energy Transfer Process Among Holmium(3+) Ions In Yttrium(3) Aluminum(5) Oxygen(12), Terri Lynn Lazarus
Dissertations, Theses, and Masters Projects
This research comprises a comprehensive spectroscopic study of the characteristics of the solid state crystal YAG (Yttrium Aluminum Garnet) singly doped with Ho (Holmium) ions. An important area of solid state laser crystal research is the determination and optimization of the processes within these laser crystals which lead to efficient laser action. In most laser crystals, there is a donor ion such as Tm (Thulium) and an acceptor ion such as Ho. The donor ion generally has greater absorption than that of the acceptor at the wavelength of the pump source. The donor ion can transfer this absorbed energy to …