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Title: Antidoping in Insulators and Semiconductors Having Intermediate Bands with Trapped Carriers

Abstract

Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Recently, however, some peculiar doping characteristics were sporadically recorded in different materials without noting the mechanism: electron doping was observed to cause a portion of the lowest unoccupied band to merge into the valance band, leading to a decrease in conductivity. This behavior, that we dub as “antidoping,” was seen in rare-earth nickel oxides SmNiO 3 , cobalt oxides SrCoO 2.5 , Li-ion battery materials, and even MgO with metal vacancies. We describe the physical origin of antidoping as well as its inverse problem—the “design principles” that would enable an intelligent search of materials. We find that electron antidoping is expected in materials having preexisting trapped holes and is caused by the annihilation of such “hole polarons” via electron doping. Finally, this may offer an unconventional way of controlling conductivity.

Authors:
 [1];  [2];  [3]
  1. Univ. of Colorado, Boulder, CO (United States); Southern Univ. of Science and Technology, Shenzhen (China)
  2. Univ. of Colorado, Boulder, CO (United States); Univ. Federal do ABC, Santo Andre, Sao Paulo (Brazil)
  3. Univ. of Colorado, Boulder, CO (United States)
Publication Date:
Research Org.:
Univ. of Colorado, Boulder, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; Guangdong Innovative and Entrepreneurial Research Team Program; USDOE
OSTI Identifier:
1594123
Alternate Identifier(s):
OSTI ID: 1498809
Grant/Contract Number:  
SC0010467; 2017ZT07C062; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 122; Journal Issue: 10; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Liu, Qihang, Dalpian, Gustavo M., and Zunger, Alex. Antidoping in Insulators and Semiconductors Having Intermediate Bands with Trapped Carriers. United States: N. p., 2019. Web. doi:10.1103/PhysRevLett.122.106403.
Liu, Qihang, Dalpian, Gustavo M., & Zunger, Alex. Antidoping in Insulators and Semiconductors Having Intermediate Bands with Trapped Carriers. United States. doi:10.1103/PhysRevLett.122.106403.
Liu, Qihang, Dalpian, Gustavo M., and Zunger, Alex. Mon . "Antidoping in Insulators and Semiconductors Having Intermediate Bands with Trapped Carriers". United States. doi:10.1103/PhysRevLett.122.106403.
@article{osti_1594123,
title = {Antidoping in Insulators and Semiconductors Having Intermediate Bands with Trapped Carriers},
author = {Liu, Qihang and Dalpian, Gustavo M. and Zunger, Alex},
abstractNote = {Ordinary doping by electrons (holes) generally means that the Fermi level shifts towards the conduction band (valence band) and that the conductivity of free carriers increases. Recently, however, some peculiar doping characteristics were sporadically recorded in different materials without noting the mechanism: electron doping was observed to cause a portion of the lowest unoccupied band to merge into the valance band, leading to a decrease in conductivity. This behavior, that we dub as “antidoping,” was seen in rare-earth nickel oxides SmNiO3 , cobalt oxides SrCoO2.5 , Li-ion battery materials, and even MgO with metal vacancies. We describe the physical origin of antidoping as well as its inverse problem—the “design principles” that would enable an intelligent search of materials. We find that electron antidoping is expected in materials having preexisting trapped holes and is caused by the annihilation of such “hole polarons” via electron doping. Finally, this may offer an unconventional way of controlling conductivity.},
doi = {10.1103/PhysRevLett.122.106403},
journal = {Physical Review Letters},
number = 10,
volume = 122,
place = {United States},
year = {2019},
month = {3}
}

Journal Article:
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