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Electronic structure and optical properties of yttrium aluminum garnet (Y3Al5O12) under high pressure

KE LIU1,2,* , XIAOLIN ZHOU1, JING CHANG1, JUAN CHENG1, BING DONG1

Affiliation

  1. College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610101, P. R. China
  2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China

Abstract

We first introduce the latest experimental results, i.e., production of the fine nanostructured and near fully densed transparent Y3Al5O12 (YAG) bulks at high pressure and modest temperature (HPMT, 2.0-5.0 GPa & 300-500 oC). And then, We employ the first-principles plane wave pseudopotential density functional theory method in the generalized gradient approximation (GGA) to calculate the equilibrium lattice parameters, band structures, density of states, and optical properties of YAG under high pressure. The results obtained are compared with other calculations and good agreement is found..

Keywords

High-pressure sintering, Electronic structure, Optical property, YAG.

Citation

KE LIU, XIAOLIN ZHOU, JING CHANG, JUAN CHENG, BING DONG, Electronic structure and optical properties of yttrium aluminum garnet (Y3Al5O12) under high pressure, Optoelectronics and Advanced Materials - Rapid Communications, 8, 3-4, March-April 2014, pp.264-269 (2014).

Submitted at: Aug. 16, 2013

Accepted at: March 13, 2014