Shallow Acceptor State in Mg-Doped CuAlO2 and Its Effect on Electrical and Optical Properties: An Experimental and
Ruijian Liu, Yongfeng Li, Bin Yao
1School of Materials Science and Engineering, Changchun University of Science and Technology , Changchun 130022, China.
Abstract:
Shallow acceptor states in Mg-doped CuAlO2 and their effect on structural, electrical, and optical properties are investigated by combining first-principles calculations and experiments. First-principles calculations demonstrate that Mg substituting at the Al site in CuAlO2 plays the role of shallow acceptor and has a low formation energy, suggesting that Mg doping can increase hole concentration and improve the conductivity of CuAlO2. Hall effect measurements indicate that the hole concentration of the Mg-doped CuAlO2 thin film is 2 orders of magnitude higher than that of undoped CuAlO2. The best room temperature conductivity of 8.0 × 10-2 S/cm is obtained. A band gap widening is observed in the optical absorption spectra of Mg-doped CuAlO2, which is well supported by the results from first-principles electronic structure calculations.
More Related Videos
10:33An Electrochemical Cholesteric Liquid Crystalline Device for Quick and Low-Voltage Color Modulation
Published on: February 27, 2019
12:21Close-Space Sublimation-Deposited Ultra-Thin CdSeTe/CdTe Solar Cells for Enhanced Short-Circuit Current Density and Photoluminescence
Published on: March 6, 2020
Related Concept Videos
03:02Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
02:42Valence Bond Theory
02:58Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...