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An Ab-initio study on UAl for nuclear applications
2017
EPJ Web of Conferences
The structural, elastic, electronic and bonding nature and vibrational properties of UAl in B2 structure under zero pressure have been investigated by performing first principles calculations using density functional theory. The exchange-correlation potentials were treated within the generalized gradient approximation (GGA). The calculated quantities are agreed well with the available results. The electronic properties such as band structure and density of states reveal that UAl is metallic in
doi:10.1051/epjconf/201715401021
fatcat:w2g5efhj2raq7bkiwppdjdoq5e