The einstein nanocrystal Report as inadecuate




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A. Fernández Guillermet ; E.N. Miranda ;Revista Mexicana de Física 2016, 62 (1)

Author: D.S. Bertoldi

Source: http://www.redalyc.org/


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Revista Mexicana de Física ISSN: 0035-001X rmf@ciencias.unam.mx Sociedad Mexicana de Física A.C. México Bertoldi, D.S.; Fernández Guillermet, A.; Miranda, E.N. The Einstein nanocrystal Revista Mexicana de Física, vol.
62, núm.
1, enero-julio, 2016, pp.
60-65 Sociedad Mexicana de Física A.C. Distrito Federal, México Available in: http:--www.redalyc.org-articulo.oa?id=57048165009 How to cite Complete issue More information about this article Journals homepage in redalyc.org Scientific Information System Network of Scientific Journals from Latin America, the Caribbean, Spain and Portugal Non-profit academic project, developed under the open access initiative EDUCATION Revista Mexicana de Fı́sica E 62 (2016) 60–65 JANUARY–JULY 2016 The Einstein nanocrystal D.S.
Bertoldia A.
Fernández Guillermeta,b , and E.N.
Mirandaa,c a Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Cuyo, Mendoza, Argentina. e-mail: emiranda@mendoza-conicet.gov.ar b Instituto Balseiro, Comisión Nacional de Energı́a Atómica, Bariloche, Argentina. c IANIGLA, CONICET, CCT-Mendoza, Mendoza, Argentina. Received 11 September 2015; accepted 12 January 2016 We study the simplest possible model of nanocrystal consisting in a simple cubic lattice with a small number of atoms (NA ∼ 10 − 103 ), where each atom is linked to its nearest neighbor by a quantum harmonic potential.
Some properties (entropy, temperature, specific heat) of the nanocrystal are calculated numerically but exactly within the framework of the microcanonical ensemble.
We find that the presence of a surface in the nanocrystal modifies the thermostatistic properties to a greater extent than the small number of atoms in the system. The specific heat Cv behaves similarly to the Einstein solid, with an asymptotic value for high temperatures that differs from that of the −1-3 Dulong-Petit law by a term of the order of NA and that can be explained easily in terms of the surface.
The entropy is n...





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