Effects of rhenium alloying on adhesion of Mo/HfC and Mo/ZrC interfaces: A first-principles study

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dc.contributor.authorSi Abdelkader, H.en_US
dc.contributor.authorFaraoun, H. I.en_US
dc.contributor.authorEsling, C.en_US
dc.date.accessioned2013-04-21T12:23:47Zen_US
dc.date.available2013-04-21T12:23:47Zen_US
dc.date.issued2011-08-15en_US
dc.descriptionJOURNAL OF APPLIED PHYSICS, ISSN : 0021-8979, DOI: 10.1063/1.3624580, Issue : 4, Volume :110, pp. 44901-44906, 15 AOUT 2011.en_US
dc.description.abstractAdhesion and electronic structure of Mo/HfC and Mo/ZrC interfaces with and without Re impurity are investigated using first-principles density functional calculations. For Re free interface, results show that Mo atoms bind preferentially on top of C atoms, forming covalent bonds. The presence of Re alloying at the interface improves the adhesion, but does not affect the nature of interfacial Mo-C bonds.en_US
dc.identifier.issn0021-8979en_US
dc.identifier.urihttps://dspace.univ-tlemcen.dz/handle/112/1808en_US
dc.language.isoenen_US
dc.subjectab initio calculationsen_US
dc.subjectadhesionen_US
dc.subjectceramicsen_US
dc.subjectdensity functional theoryen_US
dc.subjectelectronic density of statesen_US
dc.subjectFermi levelen_US
dc.subjecthafnium compoundsen_US
dc.subjectmetal-insulator boundariesen_US
dc.subjectmolybdenumen_US
dc.subjectmolybdenum alloysen_US
dc.subjectrhenium alloysen_US
dc.titleEffects of rhenium alloying on adhesion of Mo/HfC and Mo/ZrC interfaces: A first-principles studyen_US
dc.typeArticleen_US

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