Communication

Soluble Direct-Band-Gap Semiconductors LiAsS2 and NaAsS2: Large Electronic Structure Effects from Weak As⋅⋅⋅S Interactions and Strong Nonlinear Optical Response†

  1. Tarun K. Bera1,
  2. Jung-Hwan Song Dr.2,
  3. Arthur J. Freeman Prof.2,
  4. Joon I. Jang Dr.2,
  5. John B. Ketterson Prof.2,
  6. Mercouri G. Kanatzidis Prof. Dr.1

Article first published online: 29 AUG 2008

DOI: 10.1002/anie.200801392

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 47, Issue 41, pages 7828–7832, September 29, 2008

Additional Information

How to Cite

Bera, T., Song, J.-H., Freeman, A., Jang, J., Ketterson, J. and Kanatzidis, M. (2008), Soluble Direct-Band-Gap Semiconductors LiAsS2 and NaAsS2: Large Electronic Structure Effects from Weak As⋅⋅⋅S Interactions and Strong Nonlinear Optical Response. Angewandte Chemie International Edition, 47: 7828–7832. doi: 10.1002/anie.200801392

Author Information

  1. 1

    Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA), Fax: (+1) 847-491-5937

  2. 2

    Department of Physics and Astronomy, Northwestern University, 2145 Sheridan Rd., Evanston, IL 60208 (USA)

  1. †

    Financial support from the NSF (DMR-0801855 and DMR-0306731) and through its MRSEC program (DMR-0076097) at the Materials Research Center of Northwestern University is acknowledged. This work made use of the Analytical Service Laboratory (ASL) and the Electron Probe Instrumentation Center (EPIC), Northwestern University.

Publication History

  1. Issue published online: 24 SEP 2008
  2. Article first published online: 29 AUG 2008
  3. Manuscript Revised: 25 MAY 2008
  4. Manuscript Received: 23 MAR 2008

Funded by

  • NSF. Grant Numbers: DMR-0801855, DMR-0306731
  • MRSEC. Grant Number: DMR-0076097

SEARCH

SEARCH BY CITATION

ARTICLE TOOLS

View Full Article with Supporting Information (HTML) Get PDF (801K)

Keywords:

  • chalcogenides;
  • electronic structure;
  • nonlinear optics;
  • semiconductors;
  • thioarsenates

Graphical Abstract

Thumbnail image of graphical abstract

Bridging the gap: Li1−xNaxAsS2 (x=0–1) species are found to be a new class of polar direct-gap semiconductors, which display a strong second harmonic generator (SHG) response. The anomalous band-gap trend and their direct-band-gap nature was studied by calculations. The 1.6 eV direct energy gap of LiAsS2 coupled with its high solubility makes it promising as an efficient light harvesting component in solar cells.

View Full Article with Supporting Information (HTML) Get PDF (801K)