Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS2 monolayers

Thasneem Aliyar; Hongyang Ma; Radha Krishnan; Gagandeep Singh; Bi Qi Chong; Yitao Wang; Ivan Verzhbitskiy; Calvin Pei Yu Wong; Kuan Eng Johnson Goh; Ze Xiang Shen; Teck Seng Koh; Rajib Rahman; Bent Weber

doi:10.1021/acs.nanolett.3c03681

Paper details

Research paper

Experimental CharacterizationComputational DFT

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Thasneem Aliyar, Hongyang Ma, Radha Krishnan, Gagandeep Singh et al.

arXiv·2024·10.1021/acs.nanolett.3c03681·arXiv:2402.01193

Samples

Each sample groups how it was prepared, characterized, and measured. Click a card to expand.

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

2 characterizations6 properties3 figures

ExperimentalMoS₂Studied MaterialCSubstrate / DielectricSiCSubstrate / Dielectric

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

No measurements recorded

Simulated Supercell DftMoS₂Studied Material

Materials

MoS₂

Studied Material

Also known as

molybdenum disulfideMoS₂ monolayer

Variables

dimensionality= monolayer

studied material

Why these are connected

Related documents with shared materials, methods, properties, or citations.

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS2 monolayers | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Source
Fet Threshold Voltage	Coulomb gap width	0.8eV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Coulomb charging energy	211meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting	225meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit excited-state splitting	84meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit splitting (DFT)	100meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting (DFT)	222meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—

Properties

Type	Label	Value	Material	Sample	Source
Fet Threshold Voltage	Coulomb gap width	0.8eV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Coulomb charging energy	211meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting	225meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit excited-state splitting	84meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit splitting (DFT)	100meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting (DFT)	222meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—

Properties

Type	Label	Value	Material	Sample	Source
Fet Threshold Voltage	Coulomb gap width	0.8eV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Coulomb charging energy	211meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting	225meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit excited-state splitting	84meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit splitting (DFT)	100meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting (DFT)	222meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—

Properties

Type	Label	Value	Material	Sample	Source
Fet Threshold Voltage	Coulomb gap width	0.8eV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Coulomb charging energy	211meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting	225meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit excited-state splitting	84meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	spin-orbit splitting (DFT)	100meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—
Fet Threshold Voltage	Jahn-Teller splitting (DFT)	222meV	MoS₂	Mechanically exfoliated natural MoS₂ monolayer transferred o	—

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Symmetry breaking and spin-orbit coupling for individual vacancy-induced in-gap states in MoS₂ monolayers

Samples

Mechanically exfoliated natural MoS₂ monolayer transferred onto an epitaxially grown graphene monolayer on SiC and measured by STM/STS at low temperature.

DFT model of a MoS₂ monolayer with an individual sulfur vacancy, evaluated in different charge states with Jahn-Teller distortion and spin-orbit coupling.

Materials

Why these are connected

Characterization

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Simulations

Characterization

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Characterization

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Characterization

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