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| Content Provider | IEEE Xplore Digital Library |
|---|---|
| Author | Edwards, A.H. Campbell, K.A. |
| Copyright Year | 2009 |
| Description | Author affiliation: Air Force Research Laboratory, Space Electronics Branch (Edwards, A.H.) || Department of Electrical and Computer Engineering, Boise State University (Campbell, K.A.) |
| Abstract | We present density functional calculations of isolated Ag atoms in a crystalline model for $Ge_{2}Se_{3}.$ We present defect levels for interstitial and substitutional sites. Absent other defects, we show that interstitial Ag donates an electron to the conduction band of $Ge_{2}Se_{3}$ because the highest occupied atomic level is well above the Kohn-Sham conduction band edge. Thus, we predict that Ag is always positively charged, although its charge state is fractional and significantly below +1. This results accounts for both the conductive properties of $Ge_{2}Se_{3}:Ag$ and the persistence of field-driven Ag motion. The presence of three fold-coordinated Ge alters the physics considerably. The midgap Ge states are electron sinks for the conduction electrons donated by Ag. Finally, we present evidence that Ag will displace Ge into interstitial sites, creating both dangling Ge orbitals and substitutional Ag with a strong Ag-Ge bond. |
| Starting Page | 1 |
| Ending Page | 7 |
| File Size | 397660 |
| Page Count | 7 |
| File Format | |
| ISBN | 9781424449538 |
| DOI | 10.1109/NVMT.2009.5465048 |
| Language | English |
| Publisher | Institute of Electrical and Electronics Engineers, Inc. (IEEE) |
| Publisher Date | 2009-10-25 |
| Publisher Place | USA |
| Access Restriction | Subscribed |
| Rights Holder | Institute of Electrical and Electronics Engineers, Inc. (IEEE) |
| Subject Keyword | Silver Orbital calculations Temperature Laboratories Crystallization Electron mobility Germanium Metastasis Bonding Physics |
| Content Type | Text |
| Resource Type | Article |
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