Ground-state crystal structures of superconducting Nb3Al and the phase transformation under high pressures

Niobium aluminide Nb3Al, a typical A15 conventional superconductor, has been believed to adopt the cubic β-W type structure with a space group of Pm 3 ¯ n at ambient pressure since its discovery. Herein, we report a new crystal structure with a space group of C2/c, as predicted from the ab initio ev...

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Bibliographic Details
Published in:Journal of applied physics 2018-11, Vol.124 (17)
Main Authors: Mao, Jianjun, Chen, Yue
Format: Article
Language:English
Subjects:
Aluminides
Applied physics
Computer simulation
Crystal structure
Evolutionary algorithms
Hydrostatic pressure
Molecular dynamics
Niobium
Phase transitions
Pressure
Superconductivity
Transition temperature
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