Journal
PRAMANA-JOURNAL OF PHYSICS
Volume 89, Issue 1, Pages -Publisher
INDIAN ACAD SCIENCES
DOI: 10.1007/s12043-017-1406-z
Keywords
Hexagonal nanowire; optical properties; stability; density functional theory
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Funding
- Board of Research in Nuclear Sciences ( Department of Atomic Energy, Government of India) [2013/37P/20/BRNS/956]
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The paper presents structural, electronic and optical properties of boron-group V hexagonal nanowires (h-NW) within the framework of density functional theory. The h-NW of boron-group V compounds with an analogous diameter of 12 angstrom have been designed in (1 1 1) plane. Stability analysis performed through formation energies reveal that, the stability of these structures decreases with increasing atomic number of the groupVelement. The band nature predicts that these nanowires are good electrical conductors. Optical behaviour of the nanowires has been analysed through absorption coefficient, reflectivity, refractive index, optical conductivity and electron energy loss spectrum (EELS), that are computed from the frequency-dependent complex dielectric function. The analysis reveals high reactivity of BP and BAs h-NWs to the incident light especially in the IR and visible ranges, and the optical transparency of BN h-NW in the visible and UV ranges.
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