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Title of Journal: Opt Quant Electron

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Abbravation: Optical and Quantum Electronics

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Springer US

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DOI

10.1007/s00393-017-0284-6

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ISSN

1572-817X

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Fundamental properties of GaN0001 films grown di

Authors: KuoCheng Liao YuHsien Wang PoLiang Liu HuanChen Wang
Publish Date: 2016/02/17
Volume: 48, Issue: 3, Pages: 198-
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Abstract

We present firstprinciples calculations to study the heterojunction between a wurtzite GaN0001 film and a hexagonal hbox Gd 2hbox O 30001 substrate We report that the most favorable hbox Gd 2hbox O 30001 surface is O terminated Using the work of adhesion of isolated GaN and hbox Gd 2hbox O 3 slabs our calculated interface energies suggest that the graphiticlike GaN films are fully relaxed at hbox Gd 2hbox O 30001 platforms thereby leading to Gapolarity in the GaN0001 epitaxial film Our findings agree with previously reported results

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