Calculo de Parámetros Electrónicos Para el Grafito Bernal
<abstract language="eng">Using ab-initio calculation, we have computed different electronic parameters associated with the transport coefficients of graphite Bernal. Software CRYSTAL¹ was used with a Pople standard STO- 21G* basis set. Different hamiltonians were tested, choosing a r...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol)
2002-06-01
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| Series: | Materials Research |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392002000200012 |