Vibrational Spectroscopy of Binary Titanium Borides: First-Principles and Experimental Studies

• Published in: Advances in Condensed Matter Physics Vol. 2017; no. 2017; pp. 1 - 9-021
• Main Authors: Wdowik, Urszula D., Rajchel, Bogusław, Twardowska, Agnieszka
• Format: Journal Article
• Language: English
• Published: Cairo, Egypt Hindawi Limiteds 01.01.2017; Hindawi Publishing Corporation; Hindawi; John Wiley & Sons, Inc; Hindawi Limited; Wiley
• Subjects: Boron; Boron nitride; Byproducts; Carbon; Diffraction; Impurities; Intermetallic compounds; Lasers; Phases; Powders; Principles; Raman spectra; Spectra; Spectrum analysis; Studies; Titanium; Titanium borides; Titanium diboride; Titanium dioxide; X-rays
• ISSN: 1687-8108; 1687-8124
• DOI: 10.1155/2017/4207301

Vibrational dynamics of binary titanium borides is studied from first-principles. Polarized and unpolarized Raman spectra of TiB, TiB2, and Ti3B4 are reported along with the experimental spectra of commercial powder and bulk TiB2 containing less than 1 wt.% of impurity phases. The X-ray diffraction spectroscopy, applied for phase composition examination of both bulk and powder materials, identifies only the TiB2 phase. The simulated Raman spectra together with literature data support interpretation and refinement of experimental spectra which reveal components arising from titanium dioxide (TiO2) and amorphous boron carbide (B4C) impurity phases as well as graphitic carbon. These contaminations are the by-products of synthesis, consolidation, and sintering aids employed to fabricate powder and bulk titanium diboride.