Programs
- B. Sc. Clinical Nutrition, Dietetics, and Food Science - Undergraduate
- Post Doctoral Fellowship in EEG & Clinical Epileptology - Fellowship
Publication Type : Journal Article
Source : Physical Review Letters, 112, 077203, 20 February 2014. DOI: https://doi.org/10.1103/PhysRevLett.112.077203
Url : https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112.077203
Campus : Chennai
School : School of Engineering
Department : Physics
Year : 2014
Abstract : A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in local density approximation+U electronic structure calculation. Within the mean field approximation, exchange constants can be mapped into a series of total energy calculations by the pair-flip approximation technique. The application to uranium dioxide shows an antiferromagnetic superexchange coupling in dipoles but a ferromagnetic one in quadrupoles which is very different from past studies. Further calculation of the spin-lattice interaction indicates it is of the same order with the superexchange and characterizes the overall behavior of the quadrupolar part as a competition between them.
Cite this Research Publication : S.-T. Pi, Ravindra Nanguneri, S. Y. Savrasov, "Calculation of Multipolar Exchange Interactions in Spin-Orbit Coupled Systems," Physical Review Letters, 112, 077203, 20 February 2014. DOI: https://doi.org/10.1103/PhysRevLett.112.077203