Lattice Expansion of (Ga,Mn)As: The Role of Substitutional Mn and of the Compensating Defects

2005/08/31 by J. Masek, J. Mašek, Masek, J. +3
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Physics of Superconductivity and Magnetism #ZnO doping and properties #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.cond-mat/0508760

3 pages, 2 figures, presented at XXXIV Int. School. on the Physics of Semiconducting Compounds - Jaszowiec 2005, Ustron-Jaszowiec, Poland, June 4-10, 2005

arxiv created 2005/08/31 · openalex publication_date 2005/08/31 · arxiv updated 2009/12/01 · openalex created_date 2019/06/27 · openalex updated_date 2026/07/28

Abstract

We apply the density-functional technique to determine the lattice constant of GaAs supercells containing Mn_Ga, Mn_int, and As_Ga impurities, and use a linear interpolation to describe the dependence of the lattice constant a of Ga_1-xMn_xAs on the concentrations of these impurities. The results of the supercell calculations confirm that Mn_Ga does not contribute to the lattice expansion. The increase of a is due to both Mn_int and As_Ga, that are both created in the as-grown (Ga,Mn)As in proportion to x, and that are most probably present in a remarkable amount also in the best annealed materials.

Related

• Self-compensating incorporation of Mn in Ga(1-x)Mn(x)As
• Compositional Dependence of Formation Energies of Substitutional and Interstitial Mn in Partially Compensated (Ga,Mn)As
• K-edge XANES of substitutional and interstitial Mn atoms in (Ga,Mn)As
• First principles study of the origin and nature of ferromagnetism in (Ga,Mn)As
• Multi-Orbital Lattice Model for (Ga,Mn)As and Other Lightly Magnetically Doped Zinc-Blende-Type Semiconductors