Magnetic effects at surfaces and interfaces (including grain boundaries)

Arthur J Freeman, Ruqian Wu, Lujun Chen, Lieping Zhong

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

First-principles electronic structure studies based on local spin density functional theory and performed on extremely complex simulations of ever increasingly realistic systems, play a very important role in explaining and predicting surface and interface magnetism. This has led to solving even more challenging problems like the embrittlement of the Fe grain boundary, discussed here. Now, a major issue for first-principles theory is the treatment of the weak spin-orbit coupling (SOC) in magnetic transition metals and their alloys and its subsequent effects: (i) A major breakthrough in eliminating the numerical randomness for the determination of the magneto-crystalline anisotropy was made with the state-tracking and torque approaches. This now enables us to treat magnetostriction and its inverse effect, strain-induced magnetic anisotropy in transition metal bulk, thin films and alloys. (ii) The magneto-optical Kerr effects and x-ray magnetic circular dichroism are now directly calculated and compared with experiment. In all this work, and more recently, on the first-principles calculations of giant magneto-resistance in multilayers, extensive first-principles calculations and model analyses provide simple physical insights and guidelines to search for new magnetic recording and sensor materials.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium - Proceedings
EditorsS.R. Phillpot, P.D. Bristowe, D.G. Stroud, J.R. Smith
PublisherMRS
Pages301-312
Number of pages12
Volume492
Publication statusPublished - 1997
EventProceedings of the 1997 MRS Fall Meeting - Boston, MA, USA
Duration: Dec 1 1997Dec 4 1997

Other

OtherProceedings of the 1997 MRS Fall Meeting
CityBoston, MA, USA
Period12/1/9712/4/97

Fingerprint

Transition metals
Grain boundaries
Optical Kerr effect
Giant magnetoresistance
Magnetic sensors
Magnetostriction
Magnetic recording
Magnetic anisotropy
Dichroism
Magnetism
Embrittlement
Electronic structure
Density functional theory
Multilayers
Orbits
Anisotropy
Torque
Crystalline materials
X rays
Thin films

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Freeman, A. J., Wu, R., Chen, L., & Zhong, L. (1997). Magnetic effects at surfaces and interfaces (including grain boundaries). In S. R. Phillpot, P. D. Bristowe, D. G. Stroud, & J. R. Smith (Eds.), Materials Research Society Symposium - Proceedings (Vol. 492, pp. 301-312). MRS.

Magnetic effects at surfaces and interfaces (including grain boundaries). / Freeman, Arthur J; Wu, Ruqian; Chen, Lujun; Zhong, Lieping.

Materials Research Society Symposium - Proceedings. ed. / S.R. Phillpot; P.D. Bristowe; D.G. Stroud; J.R. Smith. Vol. 492 MRS, 1997. p. 301-312.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Freeman, AJ, Wu, R, Chen, L & Zhong, L 1997, Magnetic effects at surfaces and interfaces (including grain boundaries). in SR Phillpot, PD Bristowe, DG Stroud & JR Smith (eds), Materials Research Society Symposium - Proceedings. vol. 492, MRS, pp. 301-312, Proceedings of the 1997 MRS Fall Meeting, Boston, MA, USA, 12/1/97.
Freeman AJ, Wu R, Chen L, Zhong L. Magnetic effects at surfaces and interfaces (including grain boundaries). In Phillpot SR, Bristowe PD, Stroud DG, Smith JR, editors, Materials Research Society Symposium - Proceedings. Vol. 492. MRS. 1997. p. 301-312
Freeman, Arthur J ; Wu, Ruqian ; Chen, Lujun ; Zhong, Lieping. / Magnetic effects at surfaces and interfaces (including grain boundaries). Materials Research Society Symposium - Proceedings. editor / S.R. Phillpot ; P.D. Bristowe ; D.G. Stroud ; J.R. Smith. Vol. 492 MRS, 1997. pp. 301-312
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