Force constants and dispersion relations for the zincblende and diamond structures revisited
D.G. Santiago–Pérez*, F. de León–Pérez**, R. Pérez–Álvarez***
* Centro Universitario Jose Martí Pérez, Avenida de los Mártires 360, Sancti Spiritus, Cuba. e–mail: dario@suss.co.cu
** Departamento de Física de la Materia Condensada, Universidad de Zaragoza, E–50009 Zaragoza, Spain. e–mail: fdlp@unizar.es
*** Facultad de Física, Universidad de la Habana, 10400 Habana, Cuba, e–mail: rpa@fisica.uh.cu
]]> Recibido el 23 de noviembre de 2005
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.
Resumen
Las ecuaciones del movimiento en materiales masivos son retomadas para mostrar explícitamente, para direcciones de alta simetría, las transformaciones de este problema tridimensional en problemas unidimensionales desacoplados. Las constantes de fuerza de las correspondientes ecuaciones unidimensionales son relacionadas a un número mayor de constantes de fuerzas en el material masivo. Se ilustra como las constantes de fuerza tridimensionales (y consecuentemente la matriz dinámica) pueden ser estimadas a partir de unos pocos puntos experimentales o teóricos, para semiconductores de las estructuras blenda de zinc y diamante.
Descriptores: Constantes de fuerza; blenda de zinc; diamante.
]]>PACS:63.10.+a;63.20.Dj
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Acknowledgements
We thank Leonor Chico for useful discussions.
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