Ab initio investigation of Al/Mo2B interfacial adhesion

a-[ordm Abinitio calculation is performed to study adhesion and electronic structure of Al/Mo2B interface. a-[ordm The work of adhesion (Wad) is calculated for both terminations of the Mo2B surface. a-[ordm It is found that Mo-terminated has larger Wad than the B-terminated one. a-[ordm It is shown...

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Veröffentlicht in:	Computational materials science 2011, Vol.50 (3), p.880-885
Hauptverfasser:	SI ABDELKADER, H, FARAOUN, H. I
Format:	Artikel
Sprache:	eng
Schlagworte:	Adhesive bonding Aluminum Atomic structure Chemical bonds Condensed matter: electronic structure, electrical, magnetic, and optical properties Covalent bonds Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems Electronic structure Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Exact sciences and technology Mathematical analysis Molybdenum Physics Thin films and multilayers
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