首页|外电场调控V2NO2/MoGe2N4异质结界面性质的第一性原理

外电场调控V2NO2/MoGe2N4异质结界面性质的第一性原理

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采用第一性原理计算系统地研究 V2NO2和 MoGe2N4的基础性质,及其异质结界面的电场响应特性.V2NO2具有类金属特性,MoGe2N4为间接带隙半导体特性.两种结构搭建的异质结具有六种不同堆叠方式,全部构型进行优化并选用了最低能量构型进行电场响应特性分析.V2NO2/MoGe2N4 异质结构的界面相互作用为范德瓦尔斯相互作用,两种结构在异质结中良好地保持了自己的本征性质.在外电场的调控下,V2NO2/MoGe2N4异质结可以在p型肖特基接触和欧姆接触之间转换.结果表明,V2NO2/MoGe2N4是可调的金属/半导体接触.
First-principles of external electric field regulates the interface properties of V2NO2/MoGe2N4 heterojunction
The fundamental properties of V2NO2 and MoGe2N4 and the electric field response of their heterostructured interfaces are systematically investigated using first principles calculations.V2NO2 exhibits metallic like properties,while MoGe2N4 exhibits indirect bandgap semiconductor properties.Heterojunctions constructed with two different structures have six different stacking methods,and all configurations have been optimized.The lowest energy configuration has been selected for electric field response characteristics analysis.The electric field response of the V2NO2/MoGe2N4 heterostructure is characterised by a van der Waals interaction,and the two structures maintain their intrinsic properties well in the heterostructure.The V2NO2/MoGe2N4 heterojunction can switch between p-type Schottky contacts and Ohmic contacts under the modulation of an external electric field.The results show that V2NO2/MoGe2N4 is a tunable metal/semiconductor contact.

MA2Z4heterojunctionSchottky barrierfirst nature principle

王泽、白丽娜、牛丽

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哈尔滨师范大学 物理与电子工程学院,黑龙江 哈尔滨 150025

MA2Z4 异质结 肖特基势垒 第一性原理

2024

高师理科学刊
齐齐哈尔大学

高师理科学刊

影响因子:0.351
ISSN:1007-9831
年,卷(期):2024.44(2)
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