V_(2)NO_(2)/TiSi_(2)N_(4)异质结界面性质调控的理论研究

Theoretical study of the modulation of interfacial properties of V_(2)NO_(2)/TiSi_(2)N_(4)heterojunctions

使用第一性原理计算研究了外加电场对V_(2)NO_(2)/TiSi_(2)N_(4)异质结构接触类型和肖特基势垒的调控.计算结果表明,外电场可以有效地调控V_(2)NO_(2)/TiSi_(2)N_(4)肖特基势垒的高度及其异质结的接触类型.正负向外电场均能实现V_(2)NO_(2)/TiSi_(2)N_(4)异质结构p型与n型肖特基接触之间的动态转化.此项工作为基于TiSi_(2)N_(4)半导体的肖特基功能器件及场效应晶体管的应用提供理论基础.

The modulation of the contact type and Schottky barrier of V_(2)NO_(2)/TiSi_(2)N_(4)heterostructures by an applied electric field is investigated using first principles calculations.The results show that the external electric field can effectively regulate the height of the V_(2)NO_(2)/TiSi_(2)N_(4)Schottky barrier and the contact type of the heterojunction.Both positive and negative external electric fields can achieve the dynamic transition between p-type and n-type Schottky contacts in the V_(2)NO_(2)/TiSi_(2)N_(4)heterostructure.This work provides a theoretical basis for the application of Schottky functional devices and field-effect transistors based on TiSi_(2)N_(4)semiconductors.