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2016 | 129 | 3 | 344-347
Article title

A DFT Study of the Strain Effect on the Optical Properties of Linear and Dimerized Titanium Nanochains

Content
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EN
Abstracts
EN
Optical properties of both linear and dimerized nanochains of titanium at different atomic distances are calculated using the full potential linearized augmented plane wave plus local orbital method, and using the generalized gradient approximation. When Ti nanochains were compressed, the position of critical points such as static dielectric constants and the main peaks in optical spectra shifted with an increased or decreased energy comparative to that at equilibrium constants. Under tensile strain ε_{1max}(ω) decreases in linear and dimerized structures. The plasma frequency for both structures decreases as the bond length increases. Moreover, the peaks of the energy loss function move toward higher energies with increasing bond length for linear structure, while they do not change significantly for the dimerized structure. The absorption for both nanostructures decreases by increasing the bond lengths.
Keywords
EN
Publisher

Year
Volume
129
Issue
3
Pages
344-347
Physical description
Dates
published
2016-03
received
2015-07-15
Contributors
author
  • Department of Physics, K.N. Toosi University of Technology, P.O. Box 16315-1618, Tehran, Iran
author
  • Department of Physics, K.N. Toosi University of Technology, P.O. Box 16315-1618, Tehran, Iran
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv129n315kz
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