XVII-ICSMV

AB-INITIO STUDIES OF THE INITIAL STAGES OF THE EPITAXIAL GROWTH OF GaN/GaP SUPERLATTICES IN GaP(hhl) SURFACES.

Not scheduled

1h 30m

Museo Caracol (Ensenada, México)

Oral Theory and Simulation of Materials THEORY AND SIMULATION OF MATERIALS

Speaker

Javier Alanis Perez (CIACyT-UASLP)

Description

The III-Nitride (GaN, AlN, etc) exhibits unique properties that excel other III-V materials. These properties include the high dielectric breakdown voltage, wide bandgap, and high thermal conductivity. However, the monolithic integration of these compounds in Si substrates has been hindered by the mismatch in its fundamental physical properties such as their lattice constant, polarity and the formation of an amorphous SixNy interface [1]. The main solution has been the growth of a buffer layer to overcome some of these problems and, in addition, it can also correct the Si surface defects [1,2]. The use of GaP as buffer layer for Si surfaces is a common occurrence due to the low cell parameters mismatch between them. Furthermore, the growth of III-Nitride heterostructures has been proof experimentally with interesting properties [3].
In this work, we present an ab initio study of the initial growth steps of different superlattices of GaN/GaP on GaP(111), GaP(110) and GaP(001) surfaces. The structural changes, energy density differences and interfacial energy were calculated by using density functional theory.

Reference

[1] https://doi.org/10.1016/S0169-4332(97)00463-7
[2] https://doi.org/10.1063/1.4751024
[3] https://doi.org/10.1134/1.1187571

This work was supported by

Javier Alanis Perez acknowledges the support from the Consejo
Nacional de Humanidades, Ciencia y Tecnología (CONAHCyT) México, through the “ESTANCIAS POSDOCTORALES POR MÉXICO 2022 (1)" en la Modalidad:
Continuidad de Estancia Posdoctoral Académica (3) 2022.