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- 1. Appl. Phys. Lett. 88, 201918 (2006) , “Diffusion of zinc vacancies and interstitials in zinc oxide”, Paul Erhart and Karsten AlbeThe self-diffusion coefficient of zinc in ZnO is derived as a function of the chemical potential and Fermi level from first-principles calculations. Density functional calculations in combination with the climbing image-nudged elastic band method are used in order to determine migration barriers for... (Read more)
- 2. Phys. Rev. B 74, 235208 (2006) , “Theoretical study of the magnetism of Mn-doped ZnO with and without defects”, D. Iuan, B. Sanyal, and O. ErikssonWe calculate the exchange interaction parameters of a classical Heisenberg Hamiltonian for Mn-doped ZnO (Mn concentration between 5% and 20%) by an ab initio Korringa-Kohn-Rostoker coherent-potential-approximation method in the framework of density functional theory. A weak antiferromagnetic... (Read more)
- 3. Phys. Rev. B 74, 144432 (2006) , “Role of defects in ferromagnetism in Zn1−xCoxO: A hybrid density-functional study”, C. H. PattersonExperimental studies of Zn1−xCoxO as thin films or nanocrystals have found ferromagnetism and Curie temperatures above room temperature and that p- or n-type doping of Zn1−xCoxO can change its magnetic... (Read more)
- 4. Appl. Phys. A 30, 1 (1983) , “Transition Metals in Silicon”, E. R. Weber.A review is given on the diffusion, solubility and electrical activity of 3d transition metals in silicon. Transition elements (especially, Cr, Mn, Fe, Co, Ni, and Cu) diffuse interstitially and stay in the interstitial site in thermal equilibrium at the diffusion temperature. The parameters of the liquidus curves are identical for the Si:Ti — Si:Ni melts, indicating comparable silicon-metal interaction for all these elements. Only Cr, Mn, and Fe could be identified in undisturbed interstitial sites after quenching, the others precipitated or formed complexes. The 3d elements can be divided into two groups according to the respective enthalpy of formation of the solid solution. The distinction can arise from different charge states of these impurities at the diffusion temperature. For the interstitial 3d atoms remaining after quenching, reliable energy levels are established from the literature and compared with recent calculations. (Read more)
- 5. Z. Physik B 23, 171-181 (1976) , “Intrinsic Defects in Electron Irradiated Zinc Oxide”, B. Schallenberge, A. Hausmann
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Updated at 2010-07-20 16:50:39
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