Atomic structure, stability and electronic properties of S(Al2CuMg)/Al interface: A first-principles study

Interfacial models of Al2CuMg/Al were investigated by first-principles calculations based on density functional theory. Two types of Al2CuMg(001)/Al(021) interface structures were investigated in consideration of two different terminations for Al2CuMg(001) surface (Al-terminated and CuMg-terminated)...

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Veröffentlicht in:	Intermetallics 2018-02, Vol.93, p.329-337
Hauptverfasser:	Pang, Xingzhi, Yang, Wenchao, Yang, Jianbing, Pang, Mingjun, Zhan, Yongzhong
Format:	Artikel
Sprache:	eng
Schlagworte:	Al2CuMg/Al interface Aluminum Aluminum alloys Atomic physics Atomic structure Charge density Charge distribution Copper Density Density distribution Density functional theory Electric properties First principles Interface energy Interface stability Interfacial energy Mathematical models Work of separation
Online-Zugang:	Volltext
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