Journal
PHYSICAL REVIEW B
Volume 88, Issue 8, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.88.085418
Keywords
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Funding
- National Science Foundation through Nebraska
- Puerto-Rico EPSCOR [EPS-1010674, EPS-1002410, EPS-1010094]
- Nebraska MRSEC [DMR-0820521]
- DMR [DMR-1105474]
- Department of Energy [DE-FG02-08ER46526]
- Division Of Materials Research
- Direct For Mathematical & Physical Scien [1105474] Funding Source: National Science Foundation
- EPSCoR
- Office Of The Director [1010674, 1010094] Funding Source: National Science Foundation
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The discovery of a high-mobility two-dimensional electron gas (2DEG) in wurtzite ZnO/Zn(Mg)O heterostructures is promising for applications due to the high mobility of the carriers. In this paper, we study the formation and properties of the 2DEG at ZnO/Zn(Mg) O interfaces using first-principles calculations based on hybrid density functional theory. The 2DEG arises from the polarization discontinuity at the interface between the two materials. The uncompensated bound charge at the interface gives rise to an electric field in the bulk of ZnO which confines free carriers close to the interface. We find that the type of the confined carriers is determined by the interface termination, while the amount of charge and the confinement width could be controlled by the Mg doping and the device dimensions.
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