First-principles studies on organic electronic materials

First-principles electronic-band calculations on organic conductors.

Predicting electronic-band structures is a key issue in understanding the properties of materials or in materials design. In this review article, application examples of first-principles calculations, which are not based on adjustable empirical parameters, to study electronic structures of organic conductors are described.

First - principles studies of CrN - based materials

First principles studies of multiferroic materials.

Multiferroics, materials where spontaneous long-range magnetic and dipolar orders coexist, represent an attractive class of compounds, which combine rich and fascinating fundamental physics with a technologically appealing potential for applications in the general area of spintronics. Ab initio calculations have significantly contributed to recent progress in this area, by elucidating different...

8 SCIENTIFIC HIGHLIGHT OF THE MONTH: First Principles Studies of Multiferroic Materials First Principles Studies of Multiferroic Materials

Multiferroics, materials where spontaneous long-range magnetic and dipolar orders coexist, represent an attractive class of compounds, which combine rich and fascinating fundamental physics with a technologically appealing potential for applications in the general area of spintronics. Ab-initio calculations have significantly contributed to recent progress in this area, by elucidating different...

Advances in First-Principles Studies of Transducer Materials

Ferroelectrics Publication details, including instructions for authors and subscription information: http://www.informaworld.com/smpp/title~content=t713617887 Advances in First-Principles Studies of Transducer Materials A. Asthagiri ab; Z. Wu a; N. Choudhury ac; R. E. Cohen a a Carnegie Institute of Washington. USA b Chemical Engineering Department, University of Florida. Gainesville, FL. USA c...