title: Magnetic effect on the interfacial energy of the Ni(1 1 1)/Cr(1 1 0) interface.
abstract: The work of separation and interfacial energy of the Ni(1 1 1)/Cr(1 1 0) interface are calculated via first-principles methods. Both coherent and semicoherent interfaces are considered. We find that magnetism has a significant effect on the interfacial energy, i.e. removing magnetism decreases the interfacial energy of the semicoherent interface by around 50% . Electronic, magnetic and atomic structures at the interface are discussed. An averaging scheme is used to estimate the work of separation and interfacial energy of semicoherent interfaces based on the results of coherent interfaces. The limitations of the scheme are discussed.
authors.affiliation: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, Stockholm SE-100 44, Sweden.
authors.forename: Song
authors.initials: S
authors.lastname: Lu
authors.forename: Hualei
authors.initials: H
authors.lastname: Zhang
authors.forename: Qing-Miao
authors.initials: QM
authors.lastname: Hu
authors.forename: Marko P J
authors.initials: MP
authors.lastname: Punkkinen
authors.forename: Börje
authors.initials: B
authors.lastname: Johansson
authors.forename: Levente
authors.initials: L
authors.lastname: Vitos