Volume 84, Number 5, December 2008
|Number of page(s)||3|
|Section||Condensed Matter: Electronic Structure, Electrical, Magnetic and Optical Properties|
|Published online||16 December 2008|
Ferromagnetism in (Mn,Li) co-doped CdSe
Condensed Matter Theory Group, Department of Physics, Uppsala University - Box 530, S-751 21, Uppsala, Sweden, EU
Corresponding author: email@example.com
Accepted: 30 October 2008
Ab initio calculations based on the density functional theory are reported for the Mn-doped CdSe for 5.5% and 12.5% Mn on a Cd sublattice. It is found that Mn-doped CdSe is antiferromagnetic. An essential ingredient to stabilize the ferromagnetism in bulk CdMnxSe can be realized by the co-doping of Li. We demonstrate that CdSe co-doped with Mn and Li has a stable ferromagnetic ground state and we show that the electronic structure of CdMnxLixSe has a nearly metallic character.
PACS: 75.50.Pp – Magnetic semiconductors / 71.20.-b – Electron density of states and band structure of crystalline solids / 71.15.Nc – Total energy and cohesive energy calculations
© EPLA, 2008
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