Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Ziji Shao; Jinghua Liang; Qirui Cui; Mairbek Chshiev; Albert Fert; Tiejun Zhou; Hongxin Yang

doi:10.1103/PhysRevB.105.174404

Paper details

Research paper

Computational DFTComputational AimdComputed PhononComputed PLTheoretical

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Ziji Shao, Jinghua Liang, Qirui Cui, Mairbek Chshiev et al.

2022·10.1103/PhysRevB.105.174404·arXiv:2205.04118

Samples

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

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

2 characterizations12 properties3 figures

Simulated Supercell DftCo(MoS₂)2Studied Material

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

No measurements recorded

Simulated Supercell DftMoS₂Studied Material

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

1 property

Simulated Supercell DftCo(MoS₂)2Studied Material

Materials

Co(MoS₂)2

Studied Material

Also known as

FE₁FE₂Co intercalated bilayer MoS₂

Variables

ferroelectric_phases= FE1,FE2

studied material

Why these are connected

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

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	optimized lattice constant	3.224angstrom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₁ dipole	0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₂ dipole	-0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Switching Barrier	ferroelectric switching barrier	0.485eV/f.u.	Co(MoS₂)2	Transition-state / intermediate structure on the ferroelectr		—
Magnetic Moment	per Co atom	1.28mu_B	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground	—	—
Magnetic Exchange Coupling	J	5.65meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Magnetic Anisotropy Energy	K	0.09meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to elemental Co, Mo, and S	-0.306eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to bilayer MoS₂ and elemental Co	0.635eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy with Co estimated as isolated atom	-0.138eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Calculated Band Gap	electronic character	metallic	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	optimized lattice constant	3.224angstrom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₁ dipole	0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₂ dipole	-0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Switching Barrier	ferroelectric switching barrier	0.485eV/f.u.	Co(MoS₂)2	Transition-state / intermediate structure on the ferroelectr		—
Magnetic Moment	per Co atom	1.28mu_B	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground	—	—
Magnetic Exchange Coupling	J	5.65meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Magnetic Anisotropy Energy	K	0.09meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to elemental Co, Mo, and S	-0.306eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to bilayer MoS₂ and elemental Co	0.635eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy with Co estimated as isolated atom	-0.138eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Calculated Band Gap	electronic character	metallic	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	optimized lattice constant	3.224angstrom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₁ dipole	0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₂ dipole	-0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Switching Barrier	ferroelectric switching barrier	0.485eV/f.u.	Co(MoS₂)2	Transition-state / intermediate structure on the ferroelectr		—
Magnetic Moment	per Co atom	1.28mu_B	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground	—	—
Magnetic Exchange Coupling	J	5.65meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Magnetic Anisotropy Energy	K	0.09meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to elemental Co, Mo, and S	-0.306eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to bilayer MoS₂ and elemental Co	0.635eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy with Co estimated as isolated atom	-0.138eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Calculated Band Gap	electronic character	metallic	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—

Properties

Type	Label	Value	Material	Sample	Condition	Source
Lattice Constant	optimized lattice constant	3.224angstrom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₁ dipole	0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Electric Polarization	FE₂ dipole	-0.029e Å/f.u.	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Switching Barrier	ferroelectric switching barrier	0.485eV/f.u.	Co(MoS₂)2	Transition-state / intermediate structure on the ferroelectr		—
Magnetic Moment	per Co atom	1.28mu_B	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground	—	—
Magnetic Exchange Coupling	J	5.65meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Magnetic Anisotropy Energy	K	0.09meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Dmi Strength	DMI strength	1.34meV	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to elemental Co, Mo, and S	-0.306eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy relative to bilayer MoS₂ and elemental Co	0.635eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Formation Energy	formation energy with Co estimated as isolated atom	-0.138eV/atom	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—
Calculated Band Gap	electronic character	metallic	Co(MoS₂)2	DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground		—

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Multiferroic materials based on transition-metal dichalcogenides: Potential platform for reversible control of Dzyaloshinskii-Moriya interaction and skyrmion via electric field

Samples

DFT-relaxed Co-intercalated bilayer MoS₂ multiferroic ground-state system representing the FE₁/FE₂ family.

Reference bilayer MoS₂ system used for comparison in formation-energy analysis.

Transition-state / intermediate structure on the ferroelectric switching pathway for Co(MoS₂)2.

Materials

Why these are connected

Characterization

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Characterization

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Characterization

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