title: Influence of Interface Structure on Magnetic Proximity Effect in Pt/Y3Fe5O12 Heterostructures.
abstract: The influence of interface structure on the magnetic proximity effect (MPE) in Pt/Y3Fe5O12 (YIG) bilayered heterostructures is studied by first-principles calculations based on the density functional theory (DFT). When Pt atoms are in close proximity with Y or Fe ions at the interface, Pt-Y and Pt-Fe bonds are observed. The crystalline orientations and interface termination layers of the YIG strongly modify both the strength and the length of the Pt-Fe bonding and thereby influence the magnetic properties of the Pt. Point defects including tetrahedral Fe, octahedral Fe, and Y vacancies are introduced at the Pt/YIG interface to quantitatively evaluate the influence on the MPE from individual atoms. For the Pt(100)/YIG(100) structure, the interface tetrahedral Fe vacancies can significantly reduce or even completely diminish the magnetic moments in the Pt. In a stark contrast, the octahedral Fe vacancies slightly enhance the Pt magnetism, and the nonmagnetic Y vacancies cause little influences to the Pt magnetism. These results indicate that the strength of the MPE at the Pt/YIG interface strongly depends on the interface structure. This dependence originated from the direct exchange interaction between the Fe 3d and Pt 5d electrons via electronic state hybridization as well as the electron exchange coupling between the Pt atoms.
authors.affiliation: National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China , Chengdu 610054, People's Republic of China.|State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China , Chengdu 610054, China.|Key Laboratory of Multi-spectral Absorbing Materials and Structures, University of Electronic Science and Technology of China, Ministry of Education , Chengdu 610054, People's Republic of China.
authors.forename: Xiao
authors.initials: X
authors.lastname: Liang
authors.affiliation: National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China , Chengdu 610054, People's Republic of China.|State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China , Chengdu 610054, China.|Key Laboratory of Multi-spectral Absorbing Materials and Structures, University of Electronic Science and Technology of China, Ministry of Education , Chengdu 610054, People's Republic of China.
authors.forename: Yupeng
authors.initials: Y
authors.lastname: Zhu
authors.affiliation: National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China , Chengdu 610054, People's Republic of China.|State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China , Chengdu 610054, China.|Key Laboratory of Multi-spectral Absorbing Materials and Structures, University of Electronic Science and Technology of China, Ministry of Education , Chengdu 610054, People's Republic of China.
authors.forename: Bo
authors.initials: B
authors.lastname: Peng
authors.affiliation: National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China , Chengdu 610054, People's Republic of China.|State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China , Chengdu 610054, China.|Key Laboratory of Multi-spectral Absorbing Materials and Structures, University of Electronic Science and Technology of China, Ministry of Education , Chengdu 610054, People's Republic of China.
authors.forename: Longjiang
authors.initials: L
authors.lastname: Deng
authors.affiliation: National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China , Chengdu 610054, People's Republic of China.|State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China , Chengdu 610054, China.|Key Laboratory of Multi-spectral Absorbing Materials and Structures, University of Electronic Science and Technology of China, Ministry of Education , Chengdu 610054, People's Republic of China.
authors.forename: Jianliang
authors.initials: J
authors.lastname: Xie
authors.affiliation: National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China , Chengdu 610054, People's Republic of China.|State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China , Chengdu 610054, China.|Key Laboratory of Multi-spectral Absorbing Materials and Structures, University of Electronic Science and Technology of China, Ministry of Education , Chengdu 610054, People's Republic of China.
authors.forename: Haipeng
authors.initials: H
authors.lastname: Lu
authors.affiliation: Physics Department, Colorado State University , Fort Collins, Colorado 80523, United States.
authors.forename: Mingzhong
authors.initials: M
authors.lastname: Wu
authors.affiliation: National Engineering Research Center of Electromagnetic Radiation Control Materials, University of Electronic Science and Technology of China , Chengdu 610054, People's Republic of China.|State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China , Chengdu 610054, China.|Key Laboratory of Multi-spectral Absorbing Materials and Structures, University of Electronic Science and Technology of China, Ministry of Education , Chengdu 610054, People's Republic of China.
authors.forename: Lei
authors.initials: L
authors.lastname: Bi
keywords: Pt/YIG heterostructures; electronic structure; interface structure; magnetic properties; magnetic proximity effect