Spin and exchange coupling in Ti atom and Ti dimers

ORAL

Abstract

It is very important to know the spins on magnetic atoms embedded in a molecular network. Single or multiple magnetic atoms with a large spin can be used as molecular magnets for magnetic storage devices. We use denisty functional theory (DFT) with pseudopotentials and GGA+U to calculate spin on Ti atoms adsorbed on CuN/Cu(100) surface; and compare this spin with that obtained from scanning tunneling microscopy experiments. Then we calculate the exchange coupling for a complete layer of Ti, as well as dimers of Ti on the same CuN/Cu(100) surface.

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Authors

  • Pushpa Raghani

    • Center for Probing the Nanoscale, Stanford University, Stanford, CA, USA

  • Jesus Cruz

    • Georgetown University, Washington, D.C., USA

  • Barbara Jones

    • IBM Almaden Research Center, San Jose, CA, USA