Thumbnail
Access Restriction
Open

Author Khan, Saleem Ayaz ♦ Azam, Sikander
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY ♦ ABSORPTION ♦ ANISOTROPY ♦ BARIUM COMPOUNDS ♦ BIREFRINGENCE ♦ CHARGE DENSITY ♦ COMPUTERIZED SIMULATION ♦ CRYSTAL STRUCTURE ♦ D STATES ♦ DIELECTRIC TENSOR ♦ ELECTRICAL PROPERTIES ♦ ELECTRON TRANSFER ♦ ELECTRONIC STRUCTURE ♦ GALLIUM COMPOUNDS ♦ LANGMUIR FREQUENCY ♦ MONOCRYSTALS ♦ NITROGEN COMPOUNDS ♦ OPTICAL PROPERTIES ♦ P STATES ♦ REFLECTIVITY ♦ VALENCE
Abstract The electronic band structure, valence electron charge density and optical susceptibilities of tetrabarium gallium trinitride (TGT) were calculated via first principle study. The electronic band structure calculation describes TGT as semiconductor having direct band gap of 1.38 eV. The valence electronic charge density contour verified the non-polar covalent nature of the bond. The absorption edge and first peak of dielectric tensor components showed electrons transition from N-p state to Ba-d state. The calculated uniaxial anisotropy (0.4842) and birefringence (−0.0061) of present paper is prearranged as follow the spectral components of the dielectric tensor. The first peak in energy loss function (ELOS) shows the energy loss of fast traveling electrons in the material. The first sharp peak produced in ELOS around 10.5 eV show plasmon loss having plasma frequencies 0.1536, 0.004 and 0.066 of dielectric tensor components. This plasmon loss also cause decrease in reflectivity spectra.
ISSN 00255408
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-10-15
Publisher Place United States
Journal Materials Research Bulletin
Volume Number 70


Open content in new tab

   Open content in new tab