Jump to main content
Jump to site search

Issue 12, 2017
Previous Article Next Article

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

Author affiliations

Abstract

Recent theoretical work has shown for the first time how the experimentally observed property of “self-healing” of the superhard semiconductor boron subphosphide (B12P2) arises through a process of mediated defect recombination. Experimental verification of the proposed mechanism would require a method that can detect and distinguish between the various defect populations that can exist in B12P2. X-ray absorption near-edge spectroscopy (XANES) is such a method and in this work we present experimentally collected spectra of B12P2 samples with varying crystalline qualities. By simulating the X-ray spectroscopic signatures of potential crystallographic point defects from first-principles within the density functional theory framework, the presence of defect populations can be determined through spectroscopic fingerprinting. Our results find an increasing propensity for the presence of phosphorus vacancy defects in samples deposited at lower temperatures but no evidence for comparable populations of boron vacancies in all the samples that have been studied. The absence of large amounts of boron vacancies is in line with the “self-healing” property of B12P2.

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

Back to tab navigation
Please wait while Download options loads

Supplementary files

Publication details

The article was received on 20 Dec 2016, accepted on 28 Feb 2017, published on 06 Mar 2017 and first published online on 06 Mar 2017


Article type: Paper
DOI: 10.1039/C6TA10935G
Citation: J. Mater. Chem. A, 2017,5, 5737-5749
  •   Request permissions

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

    S. P. Huber, E. Gullikson, J. Meyer-Ilse, C. D. Frye, J. H. Edgar, R. W. E. van de Kruijs, F. Bijkerk and D. Prendergast, J. Mater. Chem. A, 2017, 5, 5737
    DOI: 10.1039/C6TA10935G

Search articles by author