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Density functional theory of superionic conductors
| Content Provider | Scilit |
|---|---|
| Author | Roman, H. Eduardo Deiterich, W. |
| Copyright Year | 1986 |
| Description | Journal: Journal of Physics C: Solid State Physics Classical density functional theory is employed to calculate the density distribution of mobile ions in superionic conductors. The system of mobile ions is regarded as a correlated liquid subject to an external potential due to counter-ions, which are held in fixed lattice positions. The theory is applied to the superionic phase of $Ag_{2}$S. Results for the $Ag^{+}$ density are in remarkable agreement with molecular dynamics studies by Vashishta and coworkers (1985). The findings suggest that correlations within the $Ag^{+}$ subsystem play an essential role in determining the structure of conduction paths. |
| Related Links | http://iopscience.iop.org/article/10.1088/0022-3719/19/34/001/pdf |
| Ending Page | L804 |
| Page Count | 4 |
| Starting Page | L801 |
| ISSN | 00223719 |
| DOI | 10.1088/0022-3719/19/34/001 |
| Journal | Journal of Physics C: Solid State Physics |
| Issue Number | 34 |
| Volume Number | 19 |
| Language | English |
| Publisher | IOP Publishing |
| Publisher Date | 1986-12-10 |
| Access Restriction | Open |
| Subject Keyword | Journal: Journal of Physics C: Solid State Physics Condensed Matter Physics Density Function Theory Molecular Dynamic |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physics and Astronomy Condensed Matter Physics Engineering |
