Logo RUB
  • Institute
    • ICAMS
      • Mission
      • Structure
      • Members
      • Fellows
    • Departments & Research Groups
      • Atomistic Modelling and Simulation
      • Scale-Bridging Thermodynamic and Kinetic Simulation
      • Micromechanical and Macroscopic Modelling
      • Artificial Intelligence for Integrated Material Science
      • Computational Design of Functional Interfaces
      • Scale-Bridging Simulation of Functional Composites
      • Materials Informatics and Data Science
      • High-Performance Computing in Materials Science
    • Central Services
      • Coordination Office
      • IT
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
 
ICAMS
ICAMS
MENÜ
  • RUB-STARTSEITE
  • Institute
    • ICAMS
    • Departments & Research Groups
    • Central Services
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information

Just another WordPress site - Ruhr-Universität Bochum

Atomic scale structure and its impact on the band gap energy for Cu2Zn(Sn,Ge)Se4 kesterite alloys

K. Ritter, S. Eckner, C. Preiß, G. Gurieva, T. Bischoff, E. Welter, S. Botti, S. Schorr, C. Schnohr

Journal of Physics: Energy, 2, 035004, (2020)

DOI: 10.1088/2515-7655/ab9d8b

Download: BibTEX

Kesterite based materials gain more and more relevance in the pursuit of affordable, efficient and flexible absorber materials for thin film photovoltaics. Alloying Cu2ZnSnSe4 with Ge could allow controlled band gap engineering as already established for Cu(In,Ga)(S,Se)2 based solar cells. This study investigates the local atomic arrangements of Cu2Zn(Sn,Ge)Se4 alloys by means of low temperature Extended x-ray Absorbtion Fine Structure Spectroscopy. The element specific bond lengths are used together with x-ray diffraction data to derive the anion positions of the different local configurations. Ab initio theoretical calculations are performed to predict the influence of structural parameters such as anion position and lattice constants on the band gap energy. Combining the results of the experimental and theoretical studies suggests that the overall influence of the structural changes on the band gap bowing due to alloying is significant yet smaller than the total non-linear change of the band gap energy. Consequently, it is concluded, that band gap bowing stems from both structural and electronic changes.

back
{"type":"article", "name":"k.ritter20207", "author":"K. Ritter and S. Eckner and C. Preiß and G. Gurieva and T. Bischoff and E. Welter and S. Botti and S. Schorr and C. Schnohr", "title":"Atomic scale structure and its impact on the band gap energy for Cu2Zn(Sn,Ge)Se4 kesterite alloys", "journal":"Journal of Physics: Energy", "volume":"2", "OPTnumber":"3", "OPTmonth":"7", "year":"2020", "OPTpages":"035004", "OPTnote":"", "OPTkey":"", "DOI":"10.1088/2515-7655/ab9d8b"}
Logo RUB
  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Ruhr-Universität Bochum
Universitätsstraße 150
44801 Bochum

  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Seitenanfang Kontrast N