NER: Calculation of magnetic properties of nanoscale semiconductor materials

Widener University, Chester PA

Investigators

Abstract

The objective of this research is to study the origin of ferromagnetism in diluted magnetic semiconductor materials and predict the phase transition properties of these materials. The approach is to use large scale Monte-Carlo-based statistical physics simulations combined with density functional theory-based magnetic properties calculations. The intellectual merit is an implementation and dissemination of a research project that will impact the field of nanoscience and nanotechnology. The broader impacts are (1) to enhance the research capability of faculty and students in the field of nanoscience and nanotechnology, (2) to prepare undergraduate and graduate students to participate as citizens in a technological society, (3) to participate in public awareness program on nanoscience and nanotechnology research using the Internet, and (4) to answer the national strategic challenge to deliver computing for the frontiers of science. At the present time there are no simple guidelines for predicting how the magnetic behavior of the diluted magnetic semiconductors materials depends on the choice of the host semiconductor. Elucidating such guidelines would be of great practical interest for efforts to control and optimize the magnetic properties of these materials. Thus, the result of this research could potentially impact the design of nanoscale spintronic devices. Nanoscience and nanotechnology will have a major impact on humankind. As a result, the social, economic, and political climate will change tremendously and thus most people will want to know how their lives can benefit from such technological advances.