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Marta Galicka, Ryszard Buczko, Perla Kacman, Erika N. Lima, Tome M. Schmidt and Hadas Shtrikman First principles studies of structural, electrical and magnetic properties of semiconductor nanowires physica status solidi (RRL) - Rapid Research Letters 7

Article first published online: 6 AUG 2013 | DOI: 10.1002/pssr.201307234

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Part of Focus Issue on “Semiconductor Nanowires” (Eds.: Chennupati Jagadish, Lutz Geelhaar, Silvija Gradecak)

The properties of various III–V and IV–VI nanowires are studied using simple ab initio methods. The impact of crystal structure, lateral surfaces, passivation of the dangling bonds and quantum confinement on the stability of the nanowires is discussed. III–V and IV–VI nanowires doped with various, in particular magnetic, ions are also discussed. The influence of the crystal structure of the wire on the segregation and formation energies of different dopants and thus on the electric and magnetic properties of the nanowires is shown.

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