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中国物理学会期刊

铁电异质结T-NbTe2/Ga2S3的接触性质及调控

CSTR: 32037.14.aps.74.20241705

Control of contact properties in ferroelectric heterojunction T-NbTe2/Ga2S3

CSTR: 32037.14.aps.74.20241705
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  • 单层的铁电半导体Ga2S3因具有卓越的延展性, 极高的载流子迁移率以及独特的面外非对称极化特性而备受关注. 利用铁电半导体Ga2S3面外非对称极化特性, 本研究构建了T-NbTe2/Ga2S3铁电异质结, 并选用了两个能量最稳定且Ga2S3极化强度方向不同的异质结PD1 ( \boldsymbol P_\downarrow)和PU2 (\boldsymbol P_\uparrow ), 对其结构稳定性和电接触性质进行相关研究. 结果表明, 由于Ga2S3极化强度方向的不同, 本征态下的异质结PD1和PU2分别形成了N型肖特基接触和P型肖特基接触. 改变铁电半导体Ga2S3的极化特性, 能改变铁电异质结T-NbTe2/Ga2S3肖特基势垒的接触类型, 这为设计多功能的肖特基器件提供了一种实用的方法. 对于异质结PD1和PU2, 施加外加正电场或者双轴应变拉伸, 都能够有效地实现肖特基接触至欧姆接触的转变. 这些结果为高性能电接触界面的二维铁电纳米器件提供了理论参考.

     

    A monolayer ferroelectric semiconductor, Ga2S3, has received extensive attention because of its outstanding ductility, extremely high carrier mobility and unique out-of-plane asymmetric polarization characteristics. In this work, T-NbTe2/Ga2S3 ferroelectric heterojunctions are constructed using out-of-plane asymmetric polarization characteristics of Ga2S3. The structural stability, preparation possibility and electrical contact properties for various ferroelectric heterojunction T-NbTe2/Ga2S3 ferroelectric heterojunctions with the different polarization directions of Ga2S3 are systematically studied by the first-principles calculations. It is found that heterojunctions T-NbTe2/Ga2S3 exhibit sensitive responses to out-of-plane asymmetric polarization characteristics of Ga2S3. The two heterojunctions with the most stable energy, PD1 ( \boldsymbol P_\downarrow) and PU2 ( \boldsymbol P_\uparrow ), in the intrinsic state form N-type and P-type Schottky contact, respectively. The polarization characteristics of the ferroelectric semiconductor Ga2S3 are dependent on the contact type of the Schottky barrier in the ferroelectric heterojunction T-NbTe2/Ga2S3, which provides a practical approach for designing multifunctional Schottky devices. Specifically, the electrical contact depends on the external electric field. For the heterojunction, PD1 (and PU2), the contact can transition from Schottky contact to Ohmic contact at an electric field strength of +0.5 V/Å (+0.6 V/Å). Besides electric field, the contact properties of both heterojunctions PD1 and PU2 may also be tuned by an external biaxial strain. For the heterojunction, PD1, the contact can transition from Schottky contact to Ohmic contact at a biaxial strain tensile of 8%. And for the heterojunction, PU2, the contact can transition from P-type Schottky contact to N-type Schottky contact at a biaxial strain tensile of 2%, then from N-type Schottky contact to Ohmic contact at a strain tensile of 10%. These results provide a theoretical reference for designing two-dimensional ferroelectric nanodevices with high-performance electrical contact interfaces.

     

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