Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 83, 2014
Previous Article Next Article

Theoretical studies of geometry asymmetry in tellurium nanostructures: intrinsic dipole, charge separation, and semiconductor–metal transition

Author affiliations

Abstract

Bulk tellurium (Te) presents a threefold screw axis with highly anisotropic chain structure, where every Te atom forms strong covalent bonds in the chain and much weaker bonds in the adjacent chains. The bonds in the adjacent chains are critical to the total energies of Te nanostructures since the nearest neighbors are always saturated. Confirmed by our model simulation and first-principles calculations, the nanobelts would be stabilized at the temperature of 600 K due to the entropy effect, though the hexagonal nanowires have the smallest surface-to-volume ratio. Attributed to the geometry asymmetry of the highly anisotropic chain, we showed that the difference of weaker bonds' distribution induces an intrinsic dipole, and thus a charge separation at the two ends of Te nanobelts. Interestingly, it further leads to a semiconductor–metal transition which is also verified by our first-principles calculations. Our finding provides a new mechanism of charge separation and semiconductor–metal transition, due to the unique asymmetry of geometry in Te nanostructures.

Graphical abstract: Theoretical studies of geometry asymmetry in tellurium nanostructures: intrinsic dipole, charge separation, and semiconductor–metal transition

Back to tab navigation

Article information


Submitted
27 May 2014
Accepted
04 Sep 2014
First published
05 Sep 2014

RSC Adv., 2014,4, 44004-44010
Article type
Paper

Theoretical studies of geometry asymmetry in tellurium nanostructures: intrinsic dipole, charge separation, and semiconductor–metal transition

Y. Tan, Y. Zhao, L. Luo, X. Yang and H. Xu, RSC Adv., 2014, 4, 44004
DOI: 10.1039/C4RA04988H

Social activity

Search articles by author

Spotlight

Advertisements