DFT Studies of Magnetic Semiconductors and Multiferroics

The present work is mostly focused on theoretical
study of multiferroics and magnetic semiconductors
within the framework of density functional theory
(DFT). Being based on a dissertation, this book is
mainly addressed to graduated students working in
the area. However, the results and techniques
presented, can be of interest for any scientist in
the field of material sciences. One of the
multiferroics studied here is Bi2NiMnO6. This was
recently synthesized as a heavily distorted double
perovskite. The calculated results for magnetization
and ferroelectricity are also shown. A second study
shows 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, it is presented a study
of ferroelectric GeTe and the properties
exhibited by Si(001)/Si(110) junction which was
experimentally built using hybrid orientation
technology (HOT).

Autorentext

Adrian Ioan Ciucivara, the son of Ioan and Dorina Ciucivara, was born in Semlac, Arad, Romania on December 30th 1976. He received his B.S. in 1999 and his M.S. in 2001. In 2007 he received his PhD in physics from the University of Texas at Austin. He is currently a postdoctoral fellow at Jackson School of Geosciences.

Klappentext

The present work is mostly focused on theoretical study of multiferroics and magnetic semiconductors within the framework of density functional theory (DFT). Being based on a dissertation, this book is mainly addressed to graduated students working in the area. However, the results and techniques presented, can be of interest for any scientist in the field of material sciences. One of the multiferroics studied here is Bi2NiMnO6. This was recently synthesized as a heavily distorted double perovskite. The calculated results for magnetization and ferroelectricity are also shown. A second study shows 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, it is presented a study of ferroelectric GeTe and the properties exhibited by Si(001)/Si(110) junction which was experimentally built using hybrid orientation technology (HOT).