Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states-Reference-Cited by-同舟云学术

Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states

Published:2015-09-14 Issue:10 Volume:143 Page:102806
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Yu Kuang¹,Libisch Florian²,Carter Emily A.¹³^ORCID

Affiliation:

1. Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, New Jersey 08544-5263, USA

2. Institute for Theoretical Physics, Vienna University of Technology, Wiedner Hauptstrasse 8-10/136, 1040 Vienna, Austria

3. Program in Applied and Computational Mathematics and Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544-5263, USA

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4922260

Reference55 articles.

1. Point Defects in Oxides: Tailoring Materials Through Defect Engineering

2. Thin-film solar cells: an overview

3. Many-electron self-interaction error in approximate density functionals

4. Towards an exact description of electronic wavefunctions in real solids

5. The state and future prospects of kesterite photovoltaics

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