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Title: Intrinsic n

Abstract

ZnO typifies a class of materials that can be doped via native defects in only one way: either n type or p type. We explain this asymmetry in ZnO via a study of its intrinsic defect physics, including Zn{sub O}, Zn{sub i}, V{sub O}, O{sub i}, and V{sub Zn} and n-type impurity dopants, Al and F. We find that ZnO is n type at Zn-rich conditions. This is because (i) the Zn interstitial, Zn{sub i}, is a shallow donor, supplying electrons; (ii) its formation enthalpy is low for both Zn-rich and O-rich conditions, so this defect is abundant; and (iii) the native defects that could compensate the n-type doping effect of Zn{sub i} (interstitial O, O{sub i}, and Zn vacancy, V{sub Zn}), have high formation enthalpies for Zn-rich conditions, so these ''electron killers'' are not abundant. We find that ZnO cannot be doped p type via native defects (O{sub i},V{sub Zn}) despite the fact that they are shallow (i.e., supplying holes at room temperature). This is because at both Zn-rich and O-rich conditions, the defects that could compensate p-type doping (V{sub O},Zn{sub i},Zn{sub O}) have low formation enthalpies so these ''hole killers'' form readily. Furthermore, we identify electron-hole radiative recombinationmore » at the V{sub O} center as the source of the green luminescence. In contrast, a large structural relaxation of the same center upon double hole capture leads to slow electron-hole recombination (either radiative or nonradiative) responsible for the slow decay of photoconductivity.« less

Authors:
; ;
Publication Date:
Sponsoring Org.:
(US)
OSTI Identifier:
40205563
Resource Type:
Journal Article
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 63; Journal Issue: 7; Other Information: DOI: 10.1103/PhysRevB.63.075205; Othernumber: PRBMDO000063000007075205000001; 049107PRB; PBD: 15 Feb 2001; Journal ID: ISSN 0163-1829
Publisher:
The American Physical Society
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ASYMMETRY; DECAY; DEFECTS; ELECTRONS; ENTHALPY; LUMINESCENCE; PHOTOCONDUCTIVITY; PHYSICS; RECOMBINATION; RELAXATION

Citation Formats

Zhang, S B, Wei, S -H, and Zunger, Alex. Intrinsic n. United States: N. p., 2001. Web. doi:10.1103/PhysRevB.63.075205.
Zhang, S B, Wei, S -H, & Zunger, Alex. Intrinsic n. United States. https://doi.org/10.1103/PhysRevB.63.075205
Zhang, S B, Wei, S -H, and Zunger, Alex. Thu . "Intrinsic n". United States. https://doi.org/10.1103/PhysRevB.63.075205.
@article{osti_40205563,
title = {Intrinsic n},
author = {Zhang, S B and Wei, S -H and Zunger, Alex},
abstractNote = {ZnO typifies a class of materials that can be doped via native defects in only one way: either n type or p type. We explain this asymmetry in ZnO via a study of its intrinsic defect physics, including Zn{sub O}, Zn{sub i}, V{sub O}, O{sub i}, and V{sub Zn} and n-type impurity dopants, Al and F. We find that ZnO is n type at Zn-rich conditions. This is because (i) the Zn interstitial, Zn{sub i}, is a shallow donor, supplying electrons; (ii) its formation enthalpy is low for both Zn-rich and O-rich conditions, so this defect is abundant; and (iii) the native defects that could compensate the n-type doping effect of Zn{sub i} (interstitial O, O{sub i}, and Zn vacancy, V{sub Zn}), have high formation enthalpies for Zn-rich conditions, so these ''electron killers'' are not abundant. We find that ZnO cannot be doped p type via native defects (O{sub i},V{sub Zn}) despite the fact that they are shallow (i.e., supplying holes at room temperature). This is because at both Zn-rich and O-rich conditions, the defects that could compensate p-type doping (V{sub O},Zn{sub i},Zn{sub O}) have low formation enthalpies so these ''hole killers'' form readily. Furthermore, we identify electron-hole radiative recombination at the V{sub O} center as the source of the green luminescence. In contrast, a large structural relaxation of the same center upon double hole capture leads to slow electron-hole recombination (either radiative or nonradiative) responsible for the slow decay of photoconductivity.},
doi = {10.1103/PhysRevB.63.075205},
url = {https://www.osti.gov/biblio/40205563}, journal = {Physical Review B},
issn = {0163-1829},
number = 7,
volume = 63,
place = {United States},
year = {2001},
month = {2}
}