Facet stability of GaN during tri-halide vapor phase epitaxy: an ab initio-based approach

CrystEngComm ◽  
2021 ◽  
Vol 23 (6) ◽  
pp. 1423-1428
Author(s):  
Daichi Yosho ◽  
Yuriko Matsuo ◽  
Akira Kusaba ◽  
Pawel Kempisty ◽  
Yoshihiro Kangawa ◽  
...  
Keyword(s):  
Ab Initio ◽  
Phase Diagrams ◽  
Vapor Phase ◽  
Vapor Phase Epitaxy ◽  
Crystal Shape ◽  
Surface Phase ◽  
Wulff Construction ◽  
Temperature And Pressure

An ab initio-based approach is used to study the facet stability of GaN during THVPE. The surface phase diagrams as functions of temperature and pressure are determined. Wulff construction is used to predict the crystal shape.

First-principles study of the surface phase diagrams of GaN(0001) and (000−1) under oxide vapor phase epitaxy growth conditions

2017 ◽  
Vol 254 (8) ◽  
pp. 1600706 ◽  
Author(s):  
Takahiro Kawamura ◽  
Akira Kitamoto ◽  
Mamoru Imade ◽  
Masashi Yoshimura ◽  
Yusuke Mori ◽  
...  
Keyword(s):  
Phase Diagrams ◽  
Vapor Phase ◽  
First Principles ◽  
Growth Conditions ◽  
Vapor Phase Epitaxy ◽  
Surface Phase ◽  
First Principles Study ◽  
Oxide Vapor

Effect of Step Edges on Adsorption Behavior for GaN(0001) Surfaces during Metalorganic Vapor Phase Epitaxy: An Ab Initio Study

2020 ◽  
Vol 20 (7) ◽  
pp. 4358-4365
Author(s):  
Takumi Ohka ◽  
Toru Akiyama ◽  
Abdul Muizz Pradipto ◽  
Kohji Nakamura ◽  
Tomonori Ito
Keyword(s):  
Ab Initio ◽  
Vapor Phase ◽  
Metalorganic Vapor Phase Epitaxy ◽  
Vapor Phase Epitaxy ◽  
Adsorption Behavior ◽  
Ab Initio Study ◽  
Step Edges

scholarly journals First-principles thermodynamics and experimental study of interface oxidation in Ni/Ni3Al structures

2019 ◽  
Vol 21 (33) ◽  
pp. 18316-18327
Author(s):  
Zhaowei Wang ◽  
Haiqing Pei ◽  
Jing Shang ◽  
Liangzhi Kou ◽  
Zhixun Wen ◽  
...  
Keyword(s):  
Experimental Study ◽  
Ab Initio ◽  
Phase Diagrams ◽  
First Principles ◽  
Oxidation Mechanism ◽  
Atomic Scale ◽  
Element Content ◽  
Surface Phase

Surface phase diagrams and element content obtained from ab initio thermodynamics and experiment reveal the atomic-scale oxidation mechanism of Ni/Ni3Al interfaces.

Quasiequilibrium crystal shape and kinetic Wulff plot for GaN grown by trihalide vapor phase epitaxy using GaCl3

2017 ◽  
Vol 254 (8) ◽  
pp. 1600679 ◽  
Author(s):  
Kenji Iso ◽  
Karen Matsuda ◽  
Nao Takekawa ◽  
Hisashi Murakami ◽  
Akinori Koukitu
Keyword(s):  
Vapor Phase ◽  
Vapor Phase Epitaxy ◽  
Crystal Shape

Ab initio calculation for an initial growth process of GaN on (0001) and (000$ \bar 1 $) surfaces by vapor phase epitaxy

2009 ◽  
Vol 6 (S2) ◽  
pp. S301-S304 ◽  
Author(s):  
Hikari Suzuki ◽  
Rie Togashi ◽  
Hisashi Murakami ◽  
Yoshinao Kumagai ◽  
Akinori Koukitu
Keyword(s):  
Ab Initio ◽  
Vapor Phase ◽  
Ab Initio Calculation ◽  
Growth Process ◽  
Vapor Phase Epitaxy ◽  
Initial Growth

scholarly journals Ab Initio Surface Phase Diagrams for Coadsorption of Aromatics and Hydrogen on the Pt(111) Surface

2016 ◽  
Vol 120 (46) ◽  
pp. 26249-26258 ◽  
Author(s):  
Glen Allen Ferguson ◽  
Vassili Vorotnikov ◽  
Nicholas Wunder ◽  
Jared Clark ◽  
Kenny Gruchalla ◽  
...  
Keyword(s):  
Ab Initio ◽  
Phase Diagrams ◽  
Surface Phase
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