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Unlocking n-type semiconductivity in diamond - A breakthrough approach via surface metal doping

At a Glance

Section titled ā€œAt a Glanceā€
MetadataDetails
Publication Date2024-12-01
JournalAPL Materials
AuthorsDefeng Liu, Guixuan Wu, Shulin Luo, Gangcheng Wang, Xiaowei Wang
InstitutionsInstitute of Coal Chemistry, Liaocheng University
Citations3

Abstract

Section titled ā€œAbstractā€

Device applications of ultra-wide bandgap diamond rely on controlled carrier types and concentrations, yet conventional n-type doping in diamond has been challenging due to its strong covalent bonds. Surface charge transfer doping (SCTD) provides an effective alternative, utilizing energy level differences between surface dopants and semiconductors to modulate carrier properties. In this study, we examined n-type SCTD doping on oxygen- and fluorine-passivated diamond (100) surfaces [diamond(100):Y, where Y = O, F] using alkali metals (Na, K, Rb, and Cs) through first-principle calculations. Following surface metal doping of diamond(100):Y, electron enrichment shifted the Fermi level into the conduction band, confirming effective n-type doping. The maximum areal electron densities reached 2.50 Ɨ 1014 cmāˆ’2 for diamond(100):O and 2.00 Ɨ 1014 cmāˆ’2 for diamond(100):F, exceeding the previously reported optimal values for surface organic molecule doping. For diamonds of equal thickness and identical passivating atoms, charge transfer followed the trend Na > K > Rb > Cs, inversely related to atomic radius. With increasing diamond thickness, charge transfer rose for oxygen-passivated surfaces and declined for fluorine-passivated ones before stabilizing, corresponding to the conduction band minimum (CBM) shift: downward for oxidization and upward for fluorination. For all alkali metal surface doping, charge transfer was greater in diamond(100):O than in diamond(100):F, owing to the lower CBM of oxidized diamond. Overall, effective n-type SCTD doping is critically influenced by diamondā€™s CBM levelsā€”dependent on its thickness and surface passivationā€”and the metal atomā€™s radius. These findings provide theoretical insights into advancing diamond-based electronic and optoelectronic devices.

Tech Support

Section titled ā€œTech Supportā€

Original Source

Section titled ā€œOriginal Sourceā€

References

Section titled ā€œReferencesā€
  1. 2023 - A review on optoelectronical properties of non-metal oxide/diamond-based p-n heterojunction [Crossref]
  2. 2022 - Diamond semiconductor and elastic strain engineering [Crossref]
  3. 2024 - Diamond photo-electric detectors with introduced silicon-vacancy color centers [Crossref]
  4. 2022 - Diamondā€”The ultimate material for exploring physics of spin-defects for quantum technologies and diamondtronics [Crossref]
  5. 2023 - Terahertz optoelectronic properties of synthetic single crystal diamond [Crossref]
  6. 2022 - High performance diamond-based solar-blind photodetectors enabled by Schottky barrier modulation [Crossref]
  7. 2023 - Neutral silicon vacancy centers in undoped diamond via surface control [Crossref]
  8. 2023 - Surface-mediated charge transfer of photogenerated carriers in diamond [Crossref]
  9. 2022 - An enhanced two-dimensional hole gas (2DHG) C-H diamond with positive surface charge model for advanced normally-off MOSFET devices [Crossref]
  10. 2004 - Metal-insulator transition in boron-ion-implanted diamond [Crossref]

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