Polar GaN Surfaces under Gallium Rich Conditions: Revised Thermodynamic Insights from Ab Initio Calculations

Polar GaN Surfaces under Gallium Rich Conditions: Revised Thermodynamic Insights from Ab Initio Calculations

This paper presents an improved theoretical view of ab initio thermodynamics for polar GaN surfaces under gallium-rich conditions. The study uses density functional theory (DFT) calculations to systematically investigate the adsorption of gallium atoms on GaN polar surfaces, starting from the clean...

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Bibliographic Details
Main Authors: Pawel Kempisty, Karol Kawka, Akira Kusaba, Yoshihiro Kangawa
Format: Article
Language:English
Published: MDPI AG 2023-08-01
Series:Materials
Subjects:
density functional theory (DFT)
phonon calculations
vibrational properties
GaN polar surfaces
surface thermodynamics
crystal growth
Online Access:https://www.mdpi.com/1996-1944/16/17/5982

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