English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

The pressure dependent behaviors on the structural, elastic and electronic properties of the A15 structure Nb3Ir and Nb3Pt were studied using first-principles calculations based on the density functional theory within generalized gradient approximation and local density approximation methods. Initially, the optimized lattice constants of Nb3Ir and Nb3Pt are consistent with the available experimental and theoretical results. Furthermore, Nb3Ir is found to be more thermodynamically stable than Nb3Pt due to its lower formation enthalpy and higher melting temperature. In addition, the elastic constants of Nb3Ir and Nb3Pt show an increasing tendency, and keep mechanically stable structures under pressures to 40 GPa. Besides, the increasing Cauchy pressures and B/G values have indicated that higher pressures can improve their ductility in both Nb3Ir and Nb3Pt. Finally, the pressure-dependent behaviors on the density of states, Mulliken charges and bond lengths are discussed for both compounds

Assessment on the structural, elastic and electronic properties of Nb3Ir and Nb3Pt: A first-principles study