Effect of Chromium and Vanadium on Nanolayered Ternary Carbides: AB Initio Study

A.E. Merad; M.B. Kanoun

doi:10.4028/www.scientific.net/MSF.609.239

Paper Titles

Electrical and Optical Behavior of Al₂O₃/Porous Silicon/Silicon Structures
p.213

Sol-Gel Synthesis of SiO₂-TiO₂ Film as Antireflection Coating on Silicon for Photovoltaic Application
p.221

Hydrogen Sensor: Effect of Palladium Thickness and Porous Structure of Silicon
p.225

Properties of Pt-Assisted Electroless Etched Silicon in HF/Na₂S₂O₈ Solution
p.231

Effect of Chromium and Vanadium on Nanolayered Ternary Carbides: AB Initio Study
p.239

Properties of CdS Thin Films Grown by Chemical Bath Deposition as a Function of Bath Temperature
p.243

Functionalization of ISE Sensor for Metal Ion Detection
p.249

Adsorption of Dyes and Metal Ions by Acrylamide - Co - Acrylic Acid Hydrogels Synthesized by Gamma Radiation
p.255

A FET Gas Sensor Device Based on Porous Silicon
p.261

HomeMaterials Science ForumMaterials Science Forum Vol. 609Effect of Chromium and Vanadium on Nanolayered...

Effect of Chromium and Vanadium on Nanolayered Ternary Carbides: AB Initio Study

Abstract:

The Cr2AlC and V2AlC nanolayered ternary carbides are studied by performing APW-lo ab initio total energy calculations within the recent Wu-Cohen generalized gradient approximation GGA. Using full relaxation procedure of the volume and the atomic positions we obtained the structural parameters and electronic structure of the optimization hexagonal. Results were compared with the experimental ones. Interesting features are deduced. In fact, we have shown why these materials are conductors.