DFT+U calculation in determining structural and electronic properties of YBa2Cu3O7-d

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DFT+U calculation in determining structural and electronic properties of YBa2Cu3O7-d

The paper investigates the effect of Hubbard U (DFT+U) addition on structural and electronic properties of YBa2Cu3O7-d superconductor. The calculation applies first principles calculation within Generalized Gradient Approximation for Perdew-Burke-Erzenhof for solids (GGA-PBEsol) functional using Den...

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Bibliographic Details
Published in:	AIP Conference Proceedings
Main Author:	Saipuddin S.F.; Hashim A.; Samat M.H.; Suhaimi N.E.; Taib M.F.M.
Format:	Conference paper
Language:	English
Published:	American Institute of Physics Inc. 2021
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85109401528&doi=10.1063%2f5.0058262&partnerID=40&md5=404c67e801b0217f5779f8f249a11b58

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