Atomistic Study of Electronic Structure of PbSe Nanowires

Abhijeet Paul, Purdue University - Main Campus
Gerhard Klimeck, Purdue University - Main Campus

Date of this Version



Applied Physics Letters: Volume 98, Issue 21


Copyright (2011) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Applied Physics Letters and may be found at The following article has been submitted to/accepted by Applied Physics Letters. Copyright (2011) Abhijeet Paul and Gerhard Klimeck. This article is distributed under a Creative Commons Attribution 3.0 Unported License.


Lead Selenide (PbSe) is an attractive ‘IV-VI’ semiconductor material to design optical sensors, lasers and thermoelectric devices. Improved fabrication of PbSe nanowires (NWs) enables the utilization of low dimensional quantum effects. The effect of cross-section size (W) and channel orientation on the bandstructure of PbSe NWs is studied using an 18 band sp3d5 tight-binding theory. The bandgap increases almost with the inverse of the W for all the orientations indicating a weak symmetry dependence. [111] and [110] NWs show higher ballistic conductance for the conduction and valence band compared to [100] NWs due to the significant splitting of the projected L-valleys in [100] NWs.


Nanoscience and Nanotechnology