First-principles calculation of intrinsic defect chemistry and self-doping in PbTe-Reference-Cited by-同舟云学术

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First-principles calculation of intrinsic defect chemistry and self-doping in PbTe

Published:2017-10-10 Issue:1 Volume:3 Page:
ISSN:2057-3960
Container-title:npj Computational Materials
language:en
Short-container-title:npj Comput Mater

Author:

Goyal Anuj,Gorai Prashun,Toberer Eric S.,Stevanović Vladan

Publisher

Springer Science and Business Media LLC

Subject

Computer Science Applications,Mechanics of Materials,General Materials Science,Modelling and Simulation

Link

http://www.nature.com/articles/s41524-017-0047-6.pdf

Reference69 articles.

1. Van de Walle, C. G. & Neugebauer, J. First-principles calculations for defects and impurities: Applications to III-nitrides. J. Appl. Phys. 95, 3851–3879 (2004).

2. Van de Walle, C. G. Hydrogen as a cause of doping in zinc oxide. Phys. Rev. Lett. 85, 1012–1015 (2000).

3. Lany, S. & Zunger, A. Dopability, intrinsic conductivity, and nonstoichiometry of transparent conducting oxides. Phys. Rev. Lett. 98, 045501 (2007).

4. Van de Walle, C. G. & Neugebauer, J. Universal alignment of hydrogen levels in semiconductors, insulators and solutions. Nature. 423, 626–628 (2003).

5. Zunger, A. Practical doping principles. Appl. Phys. Lett. 83, 57–59 (2003).

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