Density functional studies of magnetic semiconductors and multiferroics

dc.contributor.advisorKleinman, Leonarden
dc.creatorCiucivara, Adrian Ioan, 1976-en
dc.date.accessioned2008-08-28T23:55:24Zen
dc.date.accessioned2017-05-11T22:18:43Z
dc.date.available2008-08-28T23:55:24Zen
dc.date.available2017-05-11T22:18:43Z
dc.date.issued2007-12en
dc.description.abstractThe present work is mostly focused on theoretical study of multiferroics and magnetic semiconductors within the framework of density functional theory (DFT). We studied Bi₂NiMnO₆ which was recently synthesized as a heavily distorted double perovskite with four formula units in a monoclinic unit cell. The calculated GGA and GGA+U magnetizations per formula unit were 4.92 and 4.99 [mu]B and the calculated ferroelectric polarizations were 16.83 and 16.63 [mu]C cm⁻². We also present the results of completely relaxed electronic structure calculations for multiferroic LaMnO₃/BaTiO₃ structure which was built by joining a slab of magnetic LaMnO₃ with a slab of ferroelectric BaTiO₃. The study of Mn doped GeTe, which is a diluted magnetic semiconductor (DMS), shows the net magnetization as a function of doping and holes concentration. In addition, we present a study of ferroelectric GeTe as a function of applied pressure and the interesting properties exhibited by Si(001)/Si(110) junction which was experimentally built using hybrid orientation technology (HOT).en
dc.description.departmentPhysicsen
dc.format.mediumelectronicen
dc.identifier.oclc192075514en
dc.identifier.urihttp://hdl.handle.net/2152/3560en
dc.language.isoengen
dc.rightsCopyright © is held by the author. Presentation of this material on the Libraries' web site by University Libraries, The University of Texas at Austin was made possible under a limited license grant from the author who has retained all copyrights in the works.en
dc.subject.lcshMagnetic semiconductorsen
dc.subject.lcshDensity functionalsen
dc.subject.lcshFerromagnetic materialsen
dc.titleDensity functional studies of magnetic semiconductors and multiferroicsen
dc.type.genreThesisen

Files