| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1597057 | Solid State Communications | 2006 | 6 Pages |
Abstract
We present the ab initio pseudopotential formalism for generating the equation of state (EOS) for group IV-IV semiconductors from first-principles calculations. The expression for the EOS is derived within the pseudopotential framework. The computed isothermal compression curves for group IV-IV semiconductors down to high compressions V/Vo=0.55, where Vo is the volume V at pressure P=0, are compared with compression curves from other EOSs belonging to different classes and categories. The present EOS has also been tested for the prediction of end-point.
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Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
P. Tripathi, G. Misra, S.C. Goyal,