Anomalous lattice parameter of magnetic semiconductor alloys

Caetano, Clóvis; Marques, Marcelo; Ferreira, Luiz G.; Teles, Lara K.
June 2009
Applied Physics Letters;6/15/2009, Vol. 94 Issue 24, p241914
Academic Journal
The addition of transition metals to III-V semiconductors radically changes their electronic, magnetic, and structural properties. We show by ab initio calculations that in contrast to the conventional semiconductor alloys, the lattice parameter in magnetic semiconductor alloys, including those with diluted concentration, strongly deviates from Vegard’s law. We find a direct correlation between the magnetic moment and the anion-transition metal bond lengths and derive a simple and general formula that determines the lattice parameter of a particular magnetic semiconductor by considering both the composition and magnetic moment. This dependence can explain some experimentally observed anomalies and stimulate other kind of investigations.


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