Title :
Tackling Complex Phenomena in Nanoscale Multiferroics
Author :
Wei Ren ; Bellaiche, L. ; Lisenkov, S.
Author_Institution :
Phys. Dept., Univ. of Arkansas, Fayetteville, AR, USA
Abstract :
An atomistic scheme is used to study the dependence of nanodots and ultra-thin films made of the lead-free BiFeO3 (BFO) multiferroic material on electrical boundary conditions. The ground-state patterns of the electrical dipoles, oxygen octahedral tiltings and magnetic dipoles are found to dramatically depend on such electrical boundary conditions, as well as on the dimensionality of the BFO nanostructure. These unusual dependencies are of large fundamental importance, and may open the door for novel devices with unprecedented performances.
Keywords :
ab initio calculations; bismuth compounds; electric moments; ferrites; ferroelectric materials; ferroelectric thin films; ferromagnetic materials; ground states; magnetic moments; magnetic thin films; multiferroics; nanomagnetics; nanoparticles; BFO multiferroic material; BiFeO3; atomistic effective Hamiltonian scheme; complex phenomena; electrical boundary conditions; electrical dipoles; first-principles-based calculations; ground-state patterns; magnetic dipoles; nanodots; nanoscale multiferroics; nanostructure dimensionality; oxygen octahedral tiltings; ultrathin films; Boundary conditions; Films; Magnetic domain walls; Magnetic domains; Magnetic tunneling; Magnetomechanical effects;
Conference_Titel :
High Performance Computing Modernization Program Users Group Conference (HPCMP-UGC), 2010 DoD
Conference_Location :
Schaumburg, IL
Print_ISBN :
978-1-61284-986-7
DOI :
10.1109/HPCMP-UGC.2010.20
