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First principles study of Schottky barriers at Ga2O3(100)/metal interfaces

机译:GA2O3(100)/金属界面肖特基障碍研究的第一原理研究

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摘要

A low Schottky barrier height (SBH) of metal-semiconductor contact is essential for achieving high performance electronic devices. Based on first principles calculations, we have comprehensively investigated the interfacial properties of beta-Ga2O3 (100) with different metals including Mg, Ni, Cu, Pd and Pt. SBHs have been calculated via layered partial density of states (PDOS) and validated by visual wavefunctions. The results surprisingly show that Mg contact possesses the lowest SBH of 0.23 eV, while other SBHs range from 1.06 eV for Ni, 1.17 eV for Pd and 1.27 eV for Cu to 1.39 eV for Pt. This shows that SBHs of beta-Ga2O3 are not fully dependent on metal work functions due to a Fermi level pinning effect. The tunneling barrier was also calculated via electrostatic potential with a 72.85% tunneling probability of the Mg/Ga2O3 interface. The present study will provide an insight into characteristics of Ga2O3/metal interfaces and give guidance for metal choice for Ga2O3 electronic devices.
机译:金属半导体触点的低肖特基势垒高度(SBH)对于实现高性能电子设备至关重要。基于第一种原理计算,我们全面研究了β-GA2O3(100)的界面性质,其不同的金属包括Mg,Ni,Cu,Pd和Pt。已经通过分层部分密度(PDOS)计算了SBHS,并通过视觉波段验证。结果令人惊讶地表明,Mg接触具有0.23eV的最低SBH,而其他SBHS为Ni的1.06eV,1.17eV为Pd,1.27eV用于Pt。这表明β-GA2O3的SBHS由于费丝水平循环效应而不是完全依赖金属工作功能。还通过静电电位计算隧道屏障,MG / GA2O3界面的72.85%隧道突出性。本研究将提供对GA2O3 /金属界面的特性的见解,并为GA2O3电子设备提供金属选择的指导。

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  • 来源
    《RSC Advances》 |2020年第25期|共7页
  • 作者单位

    Shandong Univ State Key Lab Crystal Mat Jinan 250100 Peoples R China;

    Shandong Univ State Key Lab Crystal Mat Jinan 250100 Peoples R China;

    Shandong Univ State Key Lab Crystal Mat Jinan 250100 Peoples R China;

    Chinese Acad Sci Inst Semicond State Key Lab Superlattices &

    Microstruct Beijing 100083 Peoples R China;

    Shandong Univ State Key Lab Crystal Mat Jinan 250100 Peoples R China;

    Shandong Univ State Key Lab Crystal Mat Jinan 250100 Peoples R China;

    Shandong Univ State Key Lab Crystal Mat Jinan 250100 Peoples R China;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
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