Artículo
Aguiar, J.C.; Quevedo, C.R.; Gomez, J.M.; Di Rocco, H.O. "Theoretical Compton profile of diamond, boron nitride and carbon nitride" (2017) Physica B: Condensed Matter. 521:361-364
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Abstract:
In the present study, we used the generalized gradient approximation method to determine the electron wave functions and theoretical Compton profiles of the following super-hard materials: diamond, boron nitride (h-BN), and carbon nitride in its two known phases: βC3N4 and gC3N4. In the case of diamond and h-BN, we compared our theoretical results with available experimental data. In addition, we used the Compton profile results to determine cohesive energies and found acceptable agreement with previous experiments. © 2017 Elsevier B.V.
Registro:
| Documento: | Artículo |
| Título: | Theoretical Compton profile of diamond, boron nitride and carbon nitride |
| Autor: | Aguiar, J.C.; Quevedo, C.R.; Gomez, J.M.; Di Rocco, H.O. |
| Filiación: | Autoridad Regulatoria Nuclear, Av. Del Libertador 8250, Buenos Aires, Argentina Universidad Nacional de Asunción, Facultad de Ciencias Exactas y Naturales, (CC1039), Campus Universitario de San Lorenzo, Paraguay Universidad Nacional de Asunción, Facultad Politécnica, (CC2111), Campus Universitario de San Lorenzo, Paraguay Instituto de Física “Arroyo Seco”, Facultad de Ciencias Exactas, Universidad Nacional del Centro de la Provincia de Buenos Aires, Pinto 399, Tandil, Argentina Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina |
| Palabras clave: | Boron nitride and Carbon nitride; Compton profile; Diamond; Generalized gradient approximation; Boron nitride; Compton scattering; Diamonds; Nitrides; Cohesive energies; Compton profiles; Electron wave functions; Generalized gradient approximations; Superhard material; Carbon nitride |
| Año: | 2017 |
| Volumen: | 521 |
| Página de inicio: | 361 |
| Página de fin: | 364 |
| DOI: | http://dx.doi.org/10.1016/j.physb.2017.07.016 |
| Título revista: | Physica B: Condensed Matter |
| Título revista abreviado: | Phys B Condens Matter |
| ISSN: | 09214526 |
| CODEN: | PHYBE |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09214526_v521_n_p361_Aguiar |
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Citas:
---------- APA ----------
Aguiar, J.C., Quevedo, C.R., Gomez, J.M. & Di Rocco, H.O. (2017) . Theoretical Compton profile of diamond, boron nitride and carbon nitride. Physica B: Condensed Matter, 521, 361-364.http://dx.doi.org/10.1016/j.physb.2017.07.016
---------- CHICAGO ----------
Aguiar, J.C., Quevedo, C.R., Gomez, J.M., Di Rocco, H.O. "Theoretical Compton profile of diamond, boron nitride and carbon nitride" . Physica B: Condensed Matter 521 (2017) : 361-364.http://dx.doi.org/10.1016/j.physb.2017.07.016
---------- MLA ----------
Aguiar, J.C., Quevedo, C.R., Gomez, J.M., Di Rocco, H.O. "Theoretical Compton profile of diamond, boron nitride and carbon nitride" . Physica B: Condensed Matter, vol. 521, 2017, pp. 361-364.http://dx.doi.org/10.1016/j.physb.2017.07.016
---------- VANCOUVER ----------
Aguiar, J.C., Quevedo, C.R., Gomez, J.M., Di Rocco, H.O. Theoretical Compton profile of diamond, boron nitride and carbon nitride. Phys B Condens Matter. 2017;521:361-364.http://dx.doi.org/10.1016/j.physb.2017.07.016
