Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

• Published in: Journal of applied physics Vol. 118; no. 19
• Main Authors: Mehmood, Faisal, Pachter, Ruth, Murphy, Neil R., Johnson, Walter E.
• Format: Journal Article
• Language: English
• Published: Melville American Institute of Physics 21.11.2015
• Subjects: Applied physics; Approximation; BETHE-SALPETER EQUATION; CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; DENSITY FUNCTIONAL METHOD; Density functional theory; DIELECTRIC MATERIALS; Dielectrics; ELLIPSOMETRY; Energy dissipation; ENERGY-LOSS SPECTROSCOPY; Feasibility studies; First principles; FREQUENCY DEPENDENCE; LANGMUIR FREQUENCY; MANY-BODY PROBLEM; Mathematical analysis; MORPHOLOGY; NANOSTRUCTURES; Noble metals; Optical properties; Plasma frequencies; REFLECTIVITY; Spectroellipsometry; Spectroscopy; STOICHIOMETRY; SUBSTRATES; SURFACES; Thickness; THIN FILMS; TIME DEPENDENCE; Titanium nitride; TITANIUM NITRIDES

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness o...