Density Functional Modelling of Elastic Properties of Elemental Semiconductors
The expressions for bulk modulus, its first and second pressure derivatives for elemental semiconductors are derived using the ab initio pseudopotential approach to the total crystal energy within the framework of local Density Functional formalism. The expression for the second pressure derivative...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Sumy State University
2011-01-01
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| Series: | Журнал нано- та електронної фізики |
| Subjects: | |
| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2011/1,%20Part%203/articles/jnep_2011_V3_N1(Part3)_469-473.pdf |
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