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Antidoping in Insulators and Semiconductors Having Intermediate Bands with Trapped Carriers
Qihang Liu1,2, Gustavo M Dalpian1,3, Alex Zunger1
1Renewable and Sustainable Energy Institute, University of Colorado, Boulder, Colorado 80309, USA.
Physical Review Letters
|April 2, 2019
Summary
Electron doping can surprisingly decrease conductivity in some materials, a phenomenon termed "antidoping." This occurs when electron doping annihilates pre-existing trapped holes, offering a novel method for conductivity control.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Solid-State Chemistry
Background:
- Conventional doping typically increases carrier conductivity by shifting the Fermi level.
- Recent observations show electron doping can decrease conductivity in certain materials, a phenomenon termed 'antidoping.'
- This antidoping effect has been observed in diverse materials including rare-earth nickel oxides, cobalt oxides, Li-ion battery materials, and MgO.
Purpose of the Study:
- To elucidate the physical origin of the antidoping phenomenon.
- To establish design principles for identifying materials exhibiting antidoping.
- To explore unconventional methods for controlling material conductivity.
Main Methods:
- Theoretical analysis of electronic band structures and carrier dynamics.
- Investigation of charge carrier interactions and defect mechanisms.
- Development of predictive criteria for material selection.
Main Results:
- Antidoping is physically explained as the annihilation of pre-existing trapped holes (hole polarons) by electron doping.
- Electron doping leads to a decrease in conductivity when these trapped holes are present.
- Design principles for antidoping materials are proposed based on the presence of trapped holes.
Conclusions:
- Antidoping represents a counterintuitive but controllable electronic behavior in specific materials.
- The annihilation of hole polarons by electron doping is the key mechanism.
- This research opens avenues for novel strategies in designing materials with tunable conductivity.
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