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

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Title: Interfacial properties of monolayer PtSe2 FETs: A comparative study of traditional metal and semimetal electrodes.
Authors: Li, Songyang1 (AUTHOR), Li, Xu1 (AUTHOR), Chen, Jingjun1 (AUTHOR), Ma, Zelong1 (AUTHOR), Wang, Danni1 (AUTHOR), Lu, Peisong1 (AUTHOR), Chen, Wenjie1 (AUTHOR), Bian, Baoan1 (AUTHOR) baoanbian@jiangnan.edu.cn, Ouyang, Xiao2 (AUTHOR) oyx16@tsinghua.org.cn, Liao, Bin2 (AUTHOR)
Source: Applied Physics A: Materials Science & Processing. Jun2025, Vol. 131 Issue 6, p1-11. 11p.
Subjects: Schottky barrier, Fermi level, Field-effect transistors, Metalwork, Band gaps
Abstract: 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. [ABSTRACT FROM AUTHOR]
Copyright of Applied Physics A: Materials Science & Processing is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Interfacial properties of monolayer PtSe<subscript>2</subscript> FETs: A comparative study of traditional metal and semimetal electrodes.
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  Data: <searchLink fieldCode="AR" term="%22Li%2C+Songyang%22">Li, Songyang</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Xu%22">Li, Xu</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chen%2C+Jingjun%22">Chen, Jingjun</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ma%2C+Zelong%22">Ma, Zelong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Danni%22">Wang, Danni</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Lu%2C+Peisong%22">Lu, Peisong</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chen%2C+Wenjie%22">Chen, Wenjie</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Bian%2C+Baoan%22">Bian, Baoan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> baoanbian@jiangnan.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Ouyang%2C+Xiao%22">Ouyang, Xiao</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> oyx16@tsinghua.org.cn</i><br /><searchLink fieldCode="AR" term="%22Liao%2C+Bin%22">Liao, Bin</searchLink><relatesTo>2</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Applied+Physics+A%3A+Materials+Science+%26+Processing%22">Applied Physics A: Materials Science & Processing</searchLink>. Jun2025, Vol. 131 Issue 6, p1-11. 11p.
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  Data: <searchLink fieldCode="DE" term="%22Schottky+barrier%22">Schottky barrier</searchLink><br /><searchLink fieldCode="DE" term="%22Fermi+level%22">Fermi level</searchLink><br /><searchLink fieldCode="DE" term="%22Field-effect+transistors%22">Field-effect transistors</searchLink><br /><searchLink fieldCode="DE" term="%22Metalwork%22">Metalwork</searchLink><br /><searchLink fieldCode="DE" term="%22Band+gaps%22">Band gaps</searchLink>
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  Data: 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. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
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  Data: <i>Copyright of Applied Physics A: Materials Science & Processing is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1007/s00339-025-08590-z
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      – SubjectFull: Schottky barrier
        Type: general
      – SubjectFull: Fermi level
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      – SubjectFull: Field-effect transistors
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      – SubjectFull: Metalwork
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      – SubjectFull: Band gaps
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      – TitleFull: Interfacial properties of monolayer PtSe2 FETs: A comparative study of traditional metal and semimetal electrodes.
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            NameFull: Li, Songyang
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              M: 06
              Text: Jun2025
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              Y: 2025
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