Detection of defect populations in superhard semiconductor boron subphosphide B12P2 through X-ray absorption spectroscopy

Author:

Huber S. P.12345ORCID,Gullikson E.6234,Meyer-Ilse J.6234,Frye C. D.7894,Edgar J. H.7894,van de Kruijs R. W. E.510111213,Bijkerk F.510111213,Prendergast D.1234

Affiliation:

1. Molecular Foundry

2. Lawrence Berkeley National Laboratory

3. Berkeley

4. USA

5. Industrial Focus Group XUV Optics

6. Center for X-Ray Optics

7. Department of Chemical Engineering

8. Kansas State University

9. Manhattan

10. MESA+ Research Institute for Nanotechnology

11. University of Twente

12. Enschede

13. The Netherlands

Abstract

Defect populations in B12P2 samples are analyzed through spectroscopic fingerprinting, by simulating the X-ray spectroscopic signatures of crystallographic point defects from first-principles within the density functional theory framework.

Funder

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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