Semiconductor nanocrystals are being used as hosts to trap and manipulate single spins. Spins in nanocrystals can have different properties than their bulk counterparts, owing both to quantum confinement and surface effects. We will show that spins can be generated in nanocrystals by the insertion of impurities, either magnetic or not, or by magnetic polarons present at dangling bonds at their surfaces. This chapter reports theoretical contributions to this field, where the Density Functional Theory is used to simulate these functionalized nanocrystals.
- Pub Date:
- October 2018
- Condensed Matter - Mesoscale and Nanoscale Physics;
- Condensed Matter - Materials Science
- 8 pages, 5 figures, 2 tables. Chapter in Handbook of Materials Modeling, In: Andreoni W., Yip S. (eds) Handbook of Materials Modeling. Springer, Cham (2018)