Force constants and dispersion relations for the zincblende and diamond structures revisited

D.G. Santiago-Pérez, F. de León-Pérez, R. Pérez-Álvarez

Abstract


The bulk atomic equations of motion are revisited in order to show explicitly, for high symmetry directions, the transformation of this three-dimensional problem into decoupled one-dimensional problems. The force constants of the corresponding one-dimensional equations are related to a larger number of force constants of the bulk problem. We illustrate how the three-dimensional force constants (and consequently the whole dynamical matrix) can be estimated from a few either experimental or theoretical points for semiconductors in the zincblende and diamond structures.

Keywords


Force constants; zincblende; diamond

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REVISTA MEXICANA DE FÍSICA, year 67, issue 1, January-February 2021. Bimonthly Journal published by Sociedad Mexicana de Física, A. C. Departamento de Física, 2º Piso, Facultad de Ciencias, Universidad Nacional Autónoma de México, Ciudad Universitaria, Alcaldía Coyacán, C.P. 04510 , Ciudad de México. Apartado Postal 70-348. Tel. (+52)55-5622-4946, https://rmf.smf.mx/ojs/rmf, e-mail: rmf@ciencias.unam.mx. Chief Editor: José Alejandro Ayala Mercado. INDAUTOR Certificate of Reserve: 04-2019-080216404400-203, ISSN: 2683-2224 (on line), 0035-001X (print), both granted by Instituto Nacional del Derecho de Autor. Responsible for the last update of this issue, Technical Staff of Sociedad Mexicana de Física, A. C., Fís. Efraín Garrido Román, 2º. Piso, Facultad de Ciencias, Universidad Nacional Autónoma de México, Ciudad Universitaria, Alcaldía Coyacán, C.P. 04510 , Ciudad de México. Date of last modification, January 4, 2021.

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