Defect pairing in Fe-doped SnS van der Waals crystals: a photoemission and scanning tunneling microscopy study

Yesilpinar, Damla; Vondráček, Martin; Čermák, P.; Mönig, Harry; Kopeček, Jaromı́r; Caha, Ondřej; Carva, Karel; Drašar, Č.; Honolka, Jan

doi:10.1039/d3nr01905e

Cited by 4 publications

(1 citation statement)

References 33 publications

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“…There are also experimental studies utilizing DFT-based simulations to detect structural defects in van der Waals crystals observed in STM images and ultraviolet photoemission spectra. Specifically, a redshift of the valence band maximum, because of the presence of a single tin defect observed in the ultraviolet photoemission spectra, has been mapped to an increased electronic state localization related to the defect states deep in the gap, as has been found in DFT calculated LDOS plots [98]. Very recently, a deep-level transient spectroscopy technique has been demonstrated for the non-destructive probe of point defects in layered TMDs.…”

Section: Resultsmentioning

confidence: 89%

Characterization of Monovacancy Defects in Vanadium Diselenide Monolayer: A DFT Study

Kistanov

2024

Applied Sciences

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Defects are an integral part of the structure of various two-dimensional materials (2D), including 2D transition-metal dichalcogenides. These defects usually govern their electronic properties. In this work, simulations based on the density functional theory are employed for a comprehensive characterization of typical point defects in the T–VSe2 and H–VSe2 monolayers. Specifically, Se and V monovacancy defects are studied. The formation of monovacancies in T–VSe2 and H–VSe2 monolayers are found to be less favorable than in other common transition-metal dichalcogenides. Meanwhile, Se and V monovacancy defects tune the electronic structure of the T–VSe2 and H–VSe2 monolayers significantly. The scanning tunneling microscopy simulated images obtained could facilitate the detection of monovacancies in T–VSe2 and H–VSe2 monolayers in experiments.

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Section: Resultsmentioning

confidence: 89%

Characterization of Monovacancy Defects in Vanadium Diselenide Monolayer: A DFT Study

Kistanov

2024

Applied Sciences

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Synergistic effects of band engineering and point defect scattering via Te substitution in SnS for thermoelectric applications

Krishna,

Vijay,

Archana

et al. 2024

emergent mater.

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Electronic properties of Fe impurities in SnS van der Waals crystals – Revealing high-mobility holes

Navrátil,

Caha,

Kopeček

et al. 2024

Materials Science and Engineering: B

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Defect pairing in Fe-doped SnS van der Waals crystals: a photoemission and scanning tunneling microscopy study

Abstract: We investigate the effect of low concentrations of iron on the physical properties of SnS van-der-Waals crystals grown from the melt. By means of scanning tunneling microscopy (STM) and photoemission...

Cited by 4 publications

References 33 publications

Characterization of Monovacancy Defects in Vanadium Diselenide Monolayer: A DFT Study

Characterization of Monovacancy Defects in Vanadium Diselenide Monolayer: A DFT Study

Synergistic effects of band engineering and point defect scattering via Te substitution in SnS for thermoelectric applications

Electronic properties of Fe impurities in SnS van der Waals crystals – Revealing high-mobility holes

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