First-principles calculation of electronic and optical properties of graphene like ZnO (G-ZnO)
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- 作者：Rabia Farooqa ; Tariq Mahmoodb ; tariq_mahmood78@hotmail.com" class="auth_mail" title="E-mail the corresponding author ; Abdul Waheed Anwara ; Ghadah Niaz Abbasia
- 关键词：Graphene like ZnO ; Density functional theory ; Band gap ; Total density of states ; Hubbard parameter ; Dielectric constant
- 刊名：Superlattices and Microstructures
- 出版年：2016
- 出版时间：February 2016
- 年：2016
- 卷：90
- 期：Complete
- 页码：165-169
- 全文大小：716 K
文摘
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Structural and electronic properties are investigated for Graphene like ZnO.
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GGA and GGA + U methods are employed.
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Band structure and density of states are discussed.
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Optical properties are also investigated by using GGA and GGA + U functional.