Electronic and optical properties of gamma-Al2O3 from ab initio theory

• We report on a density functional theory calculation of the electronic structure and optical properties of gamma-Al2O3. We have made a comparison between the optical and electronic properties of the alpha and gamma phases of alumina. The calculated bulk modulus of the gamma phase is slightly lower than that of the a phase. The calculated static dielectric function and the optical constant of the gamma phase are very close to those of the alpha phase.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

x-ray-emission

gamma-alumina

structural-properties

crystal-structure

brillouin-zone

special points

alpha-al2o3

kappa-al2o3

band

systems

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)