Theoretical Compton profile of diamond, boron nitride and carbon nitride

dc.creatorAguiar, Julio C.
dc.creatorQuevedo, Carlos R.
dc.creatorGomez, José M.
dc.creatorDi Rocco, Hector Omar
dc.date.accessioned2018-09-04T22:35:42Z
dc.date.accessioned2018-11-06T11:46:11Z
dc.date.available2018-09-04T22:35:42Z
dc.date.available2018-11-06T11:46:11Z
dc.date.created2018-09-04T22:35:42Z
dc.date.issued2017-09
dc.identifierAguiar, Julio C.; Quevedo, Carlos R.; Gomez, José M.; Di Rocco, Hector Omar; Theoretical Compton profile of diamond, boron nitride and carbon nitride; Elsevier Science; Physica B: Condensed Matter; 521; 9-2017; 361-364
dc.identifier0921-4526
dc.identifierhttp://hdl.handle.net/11336/58330
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1859319
dc.description.abstractIn 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.
dc.languageeng
dc.publisherElsevier Science
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0921452617304052
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/https://doi.org/10.1016/j.physb.2017.07.016
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectBORON NITRIDE AND CARBON NITRIDE
dc.subjectCOMPTON PROFILE
dc.subjectDIAMOND
dc.subjectGENERALIZED GRADIENT APPROXIMATION
dc.titleTheoretical Compton profile of diamond, boron nitride and carbon nitride
dc.typeArtículos de revistas
dc.typeArtículos de revistas
dc.typeArtículos de revistas


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