Distinguishing the importance of different charge trapping centers in CaF2-based 2D material MOSFETs

Zhe Zhao; Tao Xiong; Jian Gong; Yue-Yang Liu

doi:10.48550/arxiv.2309.06152

Paper details

Research paper

Computational DFTTheoretical

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Zhe Zhao, Tao Xiong, Jian Gong, Yue-Yang Liu

2023·10.48550/arxiv.2309.06152·arXiv:2309.06152

Samples

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

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

7 properties

SimulatedCaF₂Studied MaterialMoS₂Studied Material

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

3 properties

SimulatedCaF₂Studied MaterialMoSi₂N₄Studied Material

Materials

CaF₂

Studied Material

studied material

MoS₂

Studied Material

studied material

MoSi₂N₄

Why these are connected

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

Distinguishing the importance of different charge trapping centers in CaF2-based 2D material MOSFETs | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	CaF₂ a	3.9angstrom	CaF₂	—		—
Lattice Constant	MoS₂ a	3.16angstrom	MoS₂	—		—
Lattice Constant	MoSi₂N₄ a	2.91angstrom	MoSi₂N₄	—		—
Defect Level Position	VS d1	0.38eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VS d2	0.57eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VN d1	0.98eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	VN d2	0.45eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	O₂ adsorbate d1	1eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d2	0.85eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d3	0.54eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O interlayer state	0.37eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Optical Band Gap	band gap	2.1eV	—	—	—	—
Optical Band Gap	band gap	1.8eV	—	—	—	—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	CaF₂ a	3.9angstrom	CaF₂	—		—
Lattice Constant	MoS₂ a	3.16angstrom	MoS₂	—		—
Lattice Constant	MoSi₂N₄ a	2.91angstrom	MoSi₂N₄	—		—
Defect Level Position	VS d1	0.38eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VS d2	0.57eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VN d1	0.98eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	VN d2	0.45eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	O₂ adsorbate d1	1eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d2	0.85eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d3	0.54eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O interlayer state	0.37eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Optical Band Gap	band gap	2.1eV	—	—	—	—
Optical Band Gap	band gap	1.8eV	—	—	—	—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	CaF₂ a	3.9angstrom	CaF₂	—		—
Lattice Constant	MoS₂ a	3.16angstrom	MoS₂	—		—
Lattice Constant	MoSi₂N₄ a	2.91angstrom	MoSi₂N₄	—		—
Defect Level Position	VS d1	0.38eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VS d2	0.57eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VN d1	0.98eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	VN d2	0.45eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	O₂ adsorbate d1	1eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d2	0.85eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d3	0.54eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O interlayer state	0.37eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Optical Band Gap	band gap	2.1eV	—	—	—	—
Optical Band Gap	band gap	1.8eV	—	—	—	—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	CaF₂ a	3.9angstrom	CaF₂	—		—
Lattice Constant	MoS₂ a	3.16angstrom	MoS₂	—		—
Lattice Constant	MoSi₂N₄ a	2.91angstrom	MoSi₂N₄	—		—
Defect Level Position	VS d1	0.38eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VS d2	0.57eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	VN d1	0.98eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	VN d2	0.45eV	MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Defect Level Position	O₂ adsorbate d1	1eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d2	0.85eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O₂ adsorbate d3	0.54eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Defect Level Position	O interlayer state	0.37eV	MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoS₂	DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and ad		—
Band Offset	interface band offset	2eV	CaF₂ MoSi₂N₄	DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies a		—
Optical Band Gap	band gap	2.1eV	—	—	—	—
Optical Band Gap	band gap	1.8eV	—	—	—	—

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Distinguishing the importance of different charge trapping centers in CaF₂-based 2D material MOSFETs

Samples

DFT interface model of CaF₂/MoS₂ with defects in MoS₂ and adsorbates at the interface or CaF₂ surface.

DFT interface model of CaF₂/MoSi₂N₄ with surface vacancies and adsorbates.

Materials

Why these are connected

Properties

Simulations

Properties

Simulations

Properties

Simulations

Properties

Simulations