Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors

Details Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors

2003-08-04

arxiv.org/abs/cond-mat/0308048v1

Phys. Rev. B 66, 205202 (2002)

Physics

Condensed Matter

Materials Science

9 pages, 9 figures

Scientific paper

10.1103/PhysRevB.66.205202

We analyze the electronic structure of group II-VI semiconductors obtained within LMTO approach in order to arrive at a realistic and minimal tight binding model, parameterized to provide an accurate description of both valence and conduction bands. It is shown that a nearest-neighbor $sp^3d^5$ model is fairly sufficient to describe to a large extent the electronic structure of these systems over a wide energy range, obviating the use of any fictitious $s^*$ orbital. The obtained hopping parameters obey the universal scaling law proposed by Harrison, ensuring transferability to other systems. Furthermore, we show that certain subtle features in the bonding of these compounds require the inclusion of anion-anion interactions in addition to the nearest-neighbor cation-anion interactions.

Affiliated with

Also associated with

No associations

Rating

Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Realistic Tight Binding Model for the Electronic Structure of II-VI Semiconductors will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-176307