Journal ArticleOpen Access
First‐principles prediction of mechanical and bonding characteristics of new T<sub>2</sub> superconductor Ta<sub>5</sub>GeB<sub>2</sub>
Authors
Author Affiliations
University of Rajshahi, Bangladesh Army University of Science and Technology, Jessore University of Science and Technology, International Islamic University Chittagong
Published Inphysica status solidi (b)
Year2016
Citations79
Abstract
In the present paper, density functional theory (DFT) based first‐principles methods are applied to investigate the mechanical and bonding properties of the newly synthesized T 2 phase superconductor Ta 5 GeB 2 for the first time. The calculated lattice constants are in reasonable agreement with the experiment. The elastic constants ( C ij ), bulk modulus ( B ), shear modulus ( G ), Young's modulus ( Y ), Poisson's ratio ( v ), Pugh ratio ( G / B ), and elastic anisotropy factor A of Ta 5 GeB 2 are calculated and used to explore the mechanical behavior of the compound. To give an explanation of the bonding nature of this new ternary tetragonal system, the band structure,…
View at Publisher
BORR does not host full-text PDFs. The button above takes you to the original publisher.