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The monolayer ferroelectric semiconductor Ga2S3 has drawn extensive attention because of its outstanding ductility, extremely high carrier mobility and unique out-of-plane asymmetric polarization characteristics. Utilizing out-of-plane asymmetric polarization characteristics of Ga2S3, we construct the T-NbTe2/Ga2S3ferroelectric heterojunctions. By the first-principles calculations, we systemically study structural stability, preparation possibility and electrical contact properties for various ferroelectric heterojunction T-NbTe2/Ga2S3 with the different polarization directions of Ga2S3. We find that heterojunctions T-NbTe2/Ga2S3exhibit sensitive responses to out-of-plane asymmetric polarization characteristics of Ga2S3. The most energy-stable heterojunctions PD1 ($\vec{P}$ downward) and PU2 ($\vec{P}$ upward) in the intrinsic state form N-type and P-type Schottky contacts, respectively. Changing the polarization characteristics of the ferroelectric semiconductor Ga2S3 can alter the contact type of the Schottky barrier in the ferroelectric heterojunction T-NbTe2/Ga2S3, which provide a practical approach for designing multifunctional Schottky devices. Specifically, the electrical contact depends on the external electric field. For heterojunctions PD1 (PU2), the contact can be transited from Schottky contact to Ohmic contact at electric field strength +0.5 V/Å (+0.6 V/Å). Besides electric field, the contact property of both heterojunctions PD1 and PU2 may also be tuned by external biaxial strain. For heterojunctions PD1, the contact can be transited from Schottky contact to Ohmic contact at the biaxial strain tensile 8%. And for heterojunctions PU2, the contact can be transited from P-type Schottky contact to N-type Schottky contact at the biaxial strain tensile 2%, then from N-type Schottky contact to Ohmic contact at the strain tensile 10%.These results provide a theoretical reference for two-dimensional ferroelectric nanodevices with high-performance electrical contact interfaces.
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Keywords:
- Metal-semiconductor heterojunction /
- Schottky contact /
- Ohmic contact /
- electrical contact
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