Band alignment of epitaxial ZnS/Zn{sub 3}P{sub 2} heterojunctions
- Watson Laboratory and Noyes Laboratory, Beckman Institute and Kavli Nanoscience Institute, California Institute of Technology, 1200 E. California Blvd., Pasadena, California 91125 (United States)
The energy-band alignment of epitaxial zb-ZnS(001)/{alpha}-Zn{sub 3}P{sub 2}(001) heterojunctions has been determined by measurement of shifts in the phosphorus 2p and sulfur 2p core-level binding energies for various thicknesses (0.6-2.2 nm) of ZnS grown by molecular beam epitaxy on Zn{sub 3}P{sub 2}. In addition, the position of the valence-band maximum for bulk ZnS and Zn{sub 3}P{sub 2} films was estimated using density functional theory calculations of the valence-band density-of-states. The heterojunction was observed to be type I, with a valence-band offset, {Delta}E{sub V,} of -1.19 {+-} 0.07 eV, which is significantly different from the type II alignment based on electron affinities that is predicted by Anderson theory. n{sup +}-ZnS/p-Zn{sub 3}P{sub 2} heterojunctions demonstrated open-circuit voltages of >750 mV, indicating passivation of the Zn{sub 3}P{sub 2} surface due to the introduction of the ZnS overlayer. Carrier transport across the heterojunction devices was inhibited by the large conduction-band offset, which resulted in short-circuit current densities of <0.1 mA cm{sup -2} under 1 Sun simulated illumination. Hence, constraints on the current density will likely limit the direct application of the ZnS/Zn{sub 3}P{sub 2} heterojunction to photovoltaics, whereas metal-insulator-semiconductor structures that utilize an intrinsic ZnS insulating layer appear promising.
- OSTI ID:
- 22089567
- Journal Information:
- Journal of Applied Physics, Vol. 112, Issue 9; Other Information: (c) 2012 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BINDING ENERGY
CURRENT DENSITY
DENSITY FUNCTIONAL METHOD
FILMS
HETEROJUNCTIONS
ILLUMINANCE
LAYERS
MOLECULAR BEAM EPITAXY
MOLECULAR STRUCTURE
PHOTOVOLTAIC EFFECT
SEMICONDUCTOR MATERIALS
SIMULATION
SURFACES
THICKNESS
ZINC PHOSPHIDES
ZINC SULFIDES