Electronic Structure Calculations of Bi2Te3/Sb2Te3 Superlattices for Thermoelectric Applications
| dc.contributor.advisor | Wengchang Lu, Committee Member | en_US |
| dc.contributor.advisor | Marco Buongiorno Nardelli, Committee Member | en_US |
| dc.contributor.advisor | Mark Johnson, Committee Member | en_US |
| dc.contributor.advisor | Michael Paesler, Committee Member | en_US |
| dc.contributor.author | Krishnan, Mandayam Gomatam | en_US |
| dc.date.accessioned | 2010-04-02T18:48:53Z | |
| dc.date.available | 2010-04-02T18:48:53Z | |
| dc.date.issued | 2009-11-13 | en_US |
| dc.degree.discipline | Physics | en_US |
| dc.degree.level | dissertation | en_US |
| dc.degree.name | PhD | en_US |
| dc.description.abstract | The electronic structure of Bi2Te3/Sb2Te3/BiSbTe3 in quintuple layers is calculated at the atomic level for applications in thermo electric applications of micro refrigeration and power generation. The trigonal lattice structure is used for these combinations of materials in bulk and the hexagonal lattice approximation is used for quintuple layers of these materials (Te1- Bi-Te2-Bi-Te1) for super-lattice structures. Electronic Structure Calculations on various combinations of alternating quintuple layers (1:1, 1:2, 2:1, 1:3, 3:1, 1:4, 2:3, 3:2) are made using Local Density Approximations (LDA) for band gaps and charge distributions and the results compare well with other published methods such as Linearized Augmented Plane Waves (LAPW) used as a reference. The results for (2:1, 1:3, 3:1, 1:4, 2:3, 3:2) super lattices are new for this work without any references. | en_US |
| dc.identifier.other | etd-11052008-161838 | en_US |
| dc.identifier.uri | http://www.lib.ncsu.edu/resolver/1840.16/4201 | |
| dc.rights | I hereby certify that, if appropriate, I have obtained and attached hereto a written permission statement from the owner(s) of each third party copyrighted matter to be included in my thesis, dis sertation, or project report, allowing distribution as specified below. I certify that the version I submitted is the same as that approved by my advisory committee. I hereby grant to NC State University or its agents the non-exclusive license to archive and make accessible, under the conditions specified below, my thesis, dissertation, or project report in whole or in part in all forms of media, now or hereafter known. I retain all other ownership rights to the copyright of the thesis, dissertation or project report. I also retain the right to use in future works (such as articles or books) all or part of this thesis, dissertation, or project report. | en_US |
| dc.subject | Micro power generation and refrigeration | en_US |
| dc.subject | Thermoelectrics | en_US |
| dc.subject | Electronic Structure Calculations | en_US |
| dc.subject | Bismuth and Antimony Telluride Superlattices | en_US |
| dc.subject | Density Functional Theory | en_US |
| dc.subject | Bi2Te3/Sb2Te3 Superlattices | en_US |
| dc.title | Electronic Structure Calculations of Bi2Te3/Sb2Te3 Superlattices for Thermoelectric Applications | en_US |
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