Structural, Electronic and Magnetic Properties of BN Nanotubes Doped with Mn and Cr: Exploring the Potential for Device Technology

Kökten, Hatice
Spintronics has become an increasingly important topic in device applications in the nanoscale. Several candidate systems have been studied both experimentally and theoretically in literature. In this work, we investigate the potential of Mn- and Cr-doped BN nanotubes as nanoscale devices in spintronics and magnetic applications using density functional theory. Our calculations indicate that Mn- and Cr-doped (8, 0) BN nanotubes display large magnetic moments (up to 4 mu(B)) and offer possibilities for spin-dependent transport. We also find that both Mn and Cr have large binding energies, which is important for ease of doping.


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Structural and electronic properties of GamSen, m + n < 5, microclusters are investigated using density functional theory at two different exchange-correlation functional and three different basis sets. Ground states of gallium, selenium, and their various binary combinations containing 2-5 atoms are identified. The optimum geometries, binding energies, vibrational properties, electronic structures, the possible dissociation channels and the energies of the clusters are obtained and compared with available ...
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Structural, optical and electrical properties of Ge implanted GaSe single crystal have been studied by means of X-Ray Diffraction (XRD), temperature dependent conductivity and photoconductivity (PC) measurements for different annealing temperatures. It was observed that upon implanting GaSe with Ge and applying annealing process, the resistivity is reduced from 2.1x10(9) to 6.5x10(5) ohm-em. From the temperature dependent conductivities, the activation energies have been found to be 4, 34, and 314 meV for a...
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Toffoli, Hande (American Scientific Publishers, 2007-08-01)
Cluster science has received increasing interest in the past decade. Clusters of almost all materials have been studied in depth both experimentally and theoretically. This growing interest in clusters is both due to their numerous practical applications and the role they play in identifying material properties in the size regime between molecules and bulk material. In the present work, we review numerous studies on the structural properties and stability of a subset of these materials, namely nanoclusters....
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Ilaiwi, KF; El-Kawni, MI; Tomak, Mehmet (Elsevier BV, 1998-01-01)
Self-consistent energy levels of electrons in modulation-doped GaAs/Ga1-xAlxAs heterostructures are presented and their dependence on various device parameters are examined. The results of the calculation of the electric field effects on the shape of the confinement potential, the electron concentration and the shape of the wavefunction are presented. (C) 1998 Academic Press.
Citation Formats
H. Kökten and Ş. ERKOÇ, “Structural, Electronic and Magnetic Properties of BN Nanotubes Doped with Mn and Cr: Exploring the Potential for Device Technology,” JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, pp. 926–932, 2009, Accessed: 00, 2020. [Online]. Available: