Published June 28, 2015
| Version v1
Journal article
First-principles studies of p-type nitrogen-doped α-Fe2O3-xSx alloys
Creators
- 1. Department of Physics, University of Texas at Arlington, Arlington, Texas 76019 (United States)
- 2. School of Physical Engineering, Zhengzhou University, Zhengzhou, Henan 450001 (China)
Description
Based on spin-polarized density functional theory, the characteristics of p-type doping are investigated in the N-doped α-Fe2O3−xSx alloys by means of first-principles methods. Numerical results show that when N substitutes O atom in pure α-Fe2O3, N impurity level is a deeper acceptor state. However, the unoccupied level is much shallower when N doped in the α-Fe2O3−xSx alloys, which indicates N impurity can provide good and effective p-type carriers. These predicted numerical results are interesting and useful to understand the α-Fe2O3−xSx alloys as a new low-cost solar cell material
Additional details
Identifiers
- DOI
- 10.1063/1.4923055;
Publishing Information
- Journal Title
- Journal of Applied Physics
- Journal Volume
- 117
- Journal Issue
- 24
- Journal Page Range
- p. 245703-245703.3
- ISSN
- 0021-8979
- CODEN
- JAPIAU
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 47060813
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ALLOYS; ATOMS; CARRIERS; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; FERRITES; IMPURITIES; IRON OXIDES; NITROGEN; SOLAR CELLS; SPIN ORIENTATION
- Descriptors DEC
- CALCULATION METHODS; CHALCOGENIDES; DIRECT ENERGY CONVERTERS; ELEMENTS; EQUIPMENT; FERRIMAGNETIC MATERIALS; IRON COMPOUNDS; MAGNETIC MATERIALS; MATERIALS; NONMETALS; ORIENTATION; OXIDES; OXYGEN COMPOUNDS; PHOTOELECTRIC CELLS; PHOTOVOLTAIC CELLS; SOLAR EQUIPMENT; TRANSITION ELEMENT COMPOUNDS; VARIATIONAL METHODS
Optional Information
- Notes
- (c) 2015 AIP Publishing LLC