Unidirectional domain growth of hexagonal boron nitride thin films

Abhijit Biswas; Qiyuan Ruan; Frank Lee; Chenxi Li; Sathvik Ajay Iyengar; Anand B. Puthirath; Xiang Zhang; Harikishan Kannan; Tia Gray; A. Glen Birdwell; Mahesh R. Neupane; Pankaj B. Shah; Dmitry A. Ruzmetov; Tony G. Ivanov; Robert Vajtai; Manoj Tripathi; Alan Dalton; Boris I. Yakobson; Pulickel M. Ajayan

doi:10.1016/j.apmt.2023.101734

Paper details

Research paper

Experimental GrowthExperimental CharacterizationComputational DFT

Unidirectional domain growth of hexagonal boron nitride thin films

Abhijit Biswas, Qiyuan Ruan, Frank Lee, Chenxi Li et al.

null·2022

Samples

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

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

1 preparation6 characterizations11 properties7 figures

ExperimentalBNStudied MaterialAl₂O₃Substrate / Dielectric

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

2 preparations2 characterizations5 properties1 figure

ExperimentalAl₂O₃Substrate / Dielectric

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

4 properties

Simulated Supercell DftBNStudied MaterialAl₂O₃Substrate / Dielectric

Materials

hexagonal boron nitride

Studied Material

Also known as

h-BNBN thin film

Variables

polytype= hexagonal

studied material

Why these are connected

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

Unidirectional domain growth of hexagonal boron nitride thin films | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Source
Xrd Rocking Fwhm	(0006)	0.002deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/A	0.089deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/M	0.195deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	as-received sapphire	0.223nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	annealed sapphire	0.157nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Stoichiometric Ratio	B:N ratio	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Ir Band Position	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak Fwhm	E2g	14.06cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Optical Band Gap	direct bandgap	5.95eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Absorption Peak	UV-visible absorption peak	214nm	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Valence Band Maximum	VBM below Fermi level	1.9eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Interface Binding Energy Difference	B-terminated ZZ vs N-terminated ZZ	1eV/angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Mismatch	step-edge / h-BN mismatch	11%	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Burgers Vector Magnitude	misfit edge dislocation	2.5angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Dislocation Density	macroscopic density	4000000cm⁻¹	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Strain	tensile strain on h-BN	4.4%	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	B 1s	190.8eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	N 1s	398.2eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Atomic Ratio	—	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—

Properties

Type	Label	Value	Material	Sample	Source
Xrd Rocking Fwhm	(0006)	0.002deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/A	0.089deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/M	0.195deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	as-received sapphire	0.223nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	annealed sapphire	0.157nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Stoichiometric Ratio	B:N ratio	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Ir Band Position	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak Fwhm	E2g	14.06cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Optical Band Gap	direct bandgap	5.95eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Absorption Peak	UV-visible absorption peak	214nm	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Valence Band Maximum	VBM below Fermi level	1.9eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Interface Binding Energy Difference	B-terminated ZZ vs N-terminated ZZ	1eV/angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Mismatch	step-edge / h-BN mismatch	11%	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Burgers Vector Magnitude	misfit edge dislocation	2.5angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Dislocation Density	macroscopic density	4000000cm⁻¹	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Strain	tensile strain on h-BN	4.4%	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	B 1s	190.8eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	N 1s	398.2eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Atomic Ratio	—	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—

Properties

Type	Label	Value	Material	Sample	Source
Xrd Rocking Fwhm	(0006)	0.002deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/A	0.089deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/M	0.195deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	as-received sapphire	0.223nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	annealed sapphire	0.157nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Stoichiometric Ratio	B:N ratio	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Ir Band Position	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak Fwhm	E2g	14.06cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Optical Band Gap	direct bandgap	5.95eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Absorption Peak	UV-visible absorption peak	214nm	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Valence Band Maximum	VBM below Fermi level	1.9eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Interface Binding Energy Difference	B-terminated ZZ vs N-terminated ZZ	1eV/angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Mismatch	step-edge / h-BN mismatch	11%	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Burgers Vector Magnitude	misfit edge dislocation	2.5angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Dislocation Density	macroscopic density	4000000cm⁻¹	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Strain	tensile strain on h-BN	4.4%	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	B 1s	190.8eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	N 1s	398.2eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Atomic Ratio	—	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—

Properties

Type	Label	Value	Material	Sample	Source
Xrd Rocking Fwhm	(0006)	0.002deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/A	0.089deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Substrate Miscut Angle	miscut toward C/M	0.195deg	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	as-received sapphire	0.223nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Surface Roughness	annealed sapphire	0.157nm	Al₂O₃	As-received and high-temperature annealed c-plane sapphire s	—
Stoichiometric Ratio	B:N ratio	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Ir Band Position	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak	E2g	1360cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Raman Peak Fwhm	E2g	14.06cm⁻¹	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Optical Band Gap	direct bandgap	5.95eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Absorption Peak	UV-visible absorption peak	214nm	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Valence Band Maximum	VBM below Fermi level	1.9eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Interface Binding Energy Difference	B-terminated ZZ vs N-terminated ZZ	1eV/angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Mismatch	step-edge / h-BN mismatch	11%	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Burgers Vector Magnitude	misfit edge dislocation	2.5angstrom	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Dislocation Density	macroscopic density	4000000cm⁻¹	BN Al₂O₃	DFT model of O-terminated Al₂O₃ step-edge in contact with h-	—
Lattice Strain	tensile strain on h-BN	4.4%	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	B 1s	190.8eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Binding Energy	N 1s	398.2eV	BN	h-BN thin film directly grown on low-miscut atomically smoot	—
Xps Atomic Ratio	—	~1:1	BN	h-BN thin film directly grown on low-miscut atomically smoot	—

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

Unidirectional domain growth of hexagonal boron nitride thin films

Samples

h-BN thin film directly grown on low-miscut atomically smooth c-plane sapphire by PLD; representative 5 nm film with unidirectional triangular domains.

As-received and high-temperature annealed c-plane sapphire substrate used for surface-quality and miscut characterization.

DFT model of O-terminated Al₂O₃ step-edge in contact with h-BN zigzag or armchair edge.

Materials

Why these are connected

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