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<p>In this work, the interfacial properties of field-effect transistors (FETs) based on monolayer PtSe<sub>2</sub> are systematically investigated using first principles. Six traditional metals (Sc, In, Ti, Au, Pd, Pt) along with three semimetals (As, Sb, Bi) are chosen as electrodes. At the vertical interface, when traditional metals (Sc, In, Ti, Au, Pd, Pt) are used as electrodes, the PtSe<sub>2</sub> is metallized. However, when semimetals (As, Sb, Bi) are used as electrodes, the band gap of PtSe<sub>2</sub> is preserved, forming the quasi-ohmic contact. At the lateral interface, traditional metals and semimetals form Schottky contacts with Fermi level pinning factors of 0.24 and 0.79 for the hole Schottky barriers, respectively. Compared to traditional metals, the semimetals demonstrate significant advantages in constructing p-type Schottky contacts and suppressing Fermi level pinning. This study offers theoretical support for the development of high-performance devices based on PtSe<sub>2</sub>.</p>

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Interfacial properties of monolayer PtSe2 FETs: A comparative study of traditional metal and semimetal electrodes

  • 期刊论文

  • 发表日期：

    2025年5月18日

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  • Songyang Li,
  • Xu Li,
  • Jingjun Chen,
  • Zelong Ma,
  • Danni Wang,
  • Peisong Lu,
  • Wenjie Chen,
  • Baoan Bian,
  • Xiao Ouyang,
  • Bin Liao

摘要

In this work, the interfacial properties of field-effect transistors (FETs) based on monolayer PtSe2 are systematically investigated using first principles. Six traditional metals (Sc, In, Ti, Au, Pd, Pt) along with three semimetals (As, Sb, Bi) are chosen as electrodes. At the vertical interface, when traditional metals (Sc, In, Ti, Au, Pd, Pt) are used as electrodes, the PtSe2 is metallized. However, when semimetals (As, Sb, Bi) are used as electrodes, the band gap of PtSe2 is preserved, forming the quasi-ohmic contact. At the lateral interface, traditional metals and semimetals form Schottky contacts with Fermi level pinning factors of 0.24 and 0.79 for the hole Schottky barriers, respectively. Compared to traditional metals, the semimetals demonstrate significant advantages in constructing p-type Schottky contacts and suppressing Fermi level pinning. This study offers theoretical support for the development of high-performance devices based on PtSe2.