2018
DOI: 10.1002/adts.201800133
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Codoping Er‐N to Suppress Self‐Compensation Donors for Stable p‐Type Zinc Oxide

Abstract: Stable p-type doping of zinc oxide (ZnO) is an unsolved but critical issue for ultraviolet optoelectronic applications despite extensive investigations. Here, an Er-N codoping strategy for defect engineering of ZnO to suppress the self-compensation of the donor-type intrinsic point defects (IPDs) over the acceptor-type ones is proposed. Via first-principles calculations, the influence of nitrogen and erbium concentration on the stability of ZnO is investigated. The complex (Er Zn -mN O ) consisting of multiple… Show more

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Cited by 2 publications
(2 citation statements)
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“…These resistivity values are one order of magnitude higher than those of the best Ca‐doped YIG films obtained by LPE, i.e., around 10 2 Ω cm resistivity at 450 K . The difference might be due to a stronger self‐compensation of Ca 2+ with oxygen vacancies or a lower acceptor solubility in the thin films. The single scenario of the self‐compensation mechanism can be written as followed Bi2.5normalY0.2Ca0.3Fe5normalO12δBi2.53+normalY0.23+Ca0.32+Fe4.7+2δ3+Fe0.32δ4+normalO12δ which in the Kröger–Vink notation becomes left0.3CaBi+4.7normalFeFex+0.3normalFeFe+12normalOnormalOx0.3CaBi +4.7+2δnormalFeFex+0.32δnormalFeFe + δnormalVnormalO+δ2normalO2g+12δnormalOnormalox (for δ < 0.15) where …”
Section: Resultsmentioning
confidence: 73%
See 1 more Smart Citation
“…These resistivity values are one order of magnitude higher than those of the best Ca‐doped YIG films obtained by LPE, i.e., around 10 2 Ω cm resistivity at 450 K . The difference might be due to a stronger self‐compensation of Ca 2+ with oxygen vacancies or a lower acceptor solubility in the thin films. The single scenario of the self‐compensation mechanism can be written as followed Bi2.5normalY0.2Ca0.3Fe5normalO12δBi2.53+normalY0.23+Ca0.32+Fe4.7+2δ3+Fe0.32δ4+normalO12δ which in the Kröger–Vink notation becomes left0.3CaBi+4.7normalFeFex+0.3normalFeFe+12normalOnormalOx0.3CaBi +4.7+2δnormalFeFex+0.32δnormalFeFe + δnormalVnormalO+δ2normalO2g+12δnormalOnormalox (for δ < 0.15) where …”
Section: Resultsmentioning
confidence: 73%
“…Earlier works in TMO thin films reported on the strong cell volume and/or strain dependence linked to the oxygen vacancies formation where, for example, a tensile strain increases the concentration of oxygen vacancies in CaMnO 3 thin films . On that aspect, the cosubstitution can also act as a lever for controlling the cell volume and could govern the self‐compensation mechanism when fine‐tuning p‐ and n‐doped BIGs as demonstrated in the case of ZnO …”
Section: Resultsmentioning
confidence: 99%