• Rapid Communication

Charge-induced spin polarization in nonmagnetic organic molecule Alq3

K. Tarafder, B. Sanyal, and P. M. Oppeneer
Phys. Rev. B 82, 060413(R) – Published 31 August 2010

Abstract

Electrical injection in organic semiconductors is a key prerequisite for the realization of organic spintronics. Using density-functional theory calculations we report the effect of electron transfer into the organic molecule Alq3. Our first-principles simulations show that electron injection spontaneously spin-polarizes nonmagnetic Alq3 with a magnetic moment linearly increasing with induced charge. An asymmetry of the Al-N bond lengths leads to an asymmetric distribution of injected charge over the molecule. The spin polarization arises from a filling of dominantly the nitrogen pz orbitals in the molecule’s lowest unoccupied molecular orbital together with ferromagnetic coupling of the spins on the quinoline rings.

  • Figure
  • Figure
  • Figure
  • Figure
  • Received 15 July 2010

DOI:https://doi.org/10.1103/PhysRevB.82.060413

©2010 American Physical Society

Authors & Affiliations

K. Tarafder, B. Sanyal, and P. M. Oppeneer

  • Department of Physics and Astronomy, Uppsala University, P.O. Box 516, SE-75120 Uppsala, Sweden

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 82, Iss. 6 — 1 August 2010

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×