Copyright © 2026 Matter42. All rights reserved.

Structural classification of boron nitride twisted bilayers and ab initio investigation of their stacking-dependent electronic structure | Matter42 Literature

Paper details

Research paper

Computational DFTTheoretical

Structural classification of boron nitride twisted bilayers and ab initio investigation of their stacking-dependent electronic structure

Sylvain Latil, Hakim Amara, Lorenzo Sponza

Physical Review Letters·2022·10.1126/sci-·arXiv:2206.05845

Samples

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

Untwisted hBN bilayer with BB stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BNNB stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BBNN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BN stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with NN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BNNB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BBNN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer NN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Materials

hexagonal boron nitride

hBN

Studied Material

Also known as

boron nitridehBN

studied material

Properties

Type	Label	Value	Material	Sample	Condition	Source
Interlayer Distance	equilibrium interlayer distance	3.1angstrom	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—
Interlayer Distance	equilibrium interlayer distance	3.4angstrom	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BBNN(1,2) configuration.		—
Relative Energy	higher energy relative to most stable untwisted structures	20meV	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.		—
Electronic Band Gap Character	band gap nature	indirect	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Twisted hBN bilayer BBNN(1,2) configuration.		—
Electronic Band Gap Character	band gap nature	direct	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—

Why these are connected

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

Paper details

Research paper

Computational DFTTheoretical

Structural classification of boron nitride twisted bilayers and ab initio investigation of their stacking-dependent electronic structure

Sylvain Latil, Hakim Amara, Lorenzo Sponza

Physical Review Letters·2022·10.1126/sci-·arXiv:2206.05845

Samples

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

Untwisted hBN bilayer with BB stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BNNB stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BBNN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BN stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with NN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BNNB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BBNN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer NN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Materials

hexagonal boron nitride

hBN

Studied Material

Also known as

boron nitridehBN

studied material

Properties

Type	Label	Value	Material	Sample	Condition	Source
Interlayer Distance	equilibrium interlayer distance	3.1angstrom	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—
Interlayer Distance	equilibrium interlayer distance	3.4angstrom	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BBNN(1,2) configuration.		—
Relative Energy	higher energy relative to most stable untwisted structures	20meV	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.		—
Electronic Band Gap Character	band gap nature	indirect	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Twisted hBN bilayer BBNN(1,2) configuration.		—
Electronic Band Gap Character	band gap nature	direct	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—

Why these are connected

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

Paper details

Research paper

Computational DFTTheoretical

Structural classification of boron nitride twisted bilayers and ab initio investigation of their stacking-dependent electronic structure

Sylvain Latil, Hakim Amara, Lorenzo Sponza

Physical Review Letters·2022·10.1126/sci-·arXiv:2206.05845

Samples

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

Untwisted hBN bilayer with BB stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BNNB stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BBNN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BN stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with NN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BNNB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BBNN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer NN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Materials

hexagonal boron nitride

hBN

Studied Material

Also known as

boron nitridehBN

studied material

Properties

Type	Label	Value	Material	Sample	Condition	Source
Interlayer Distance	equilibrium interlayer distance	3.1angstrom	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—
Interlayer Distance	equilibrium interlayer distance	3.4angstrom	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BBNN(1,2) configuration.		—
Relative Energy	higher energy relative to most stable untwisted structures	20meV	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.		—
Electronic Band Gap Character	band gap nature	indirect	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Twisted hBN bilayer BBNN(1,2) configuration.		—
Electronic Band Gap Character	band gap nature	direct	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—

Why these are connected

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

Paper details

Research paper

Computational DFTTheoretical

Structural classification of boron nitride twisted bilayers and ab initio investigation of their stacking-dependent electronic structure

Sylvain Latil, Hakim Amara, Lorenzo Sponza

Physical Review Letters·2022·10.1126/sci-·arXiv:2206.05845

Samples

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

Untwisted hBN bilayer with BB stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BNNB stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BBNN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with BN stacking, (0,1) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Untwisted hBN bilayer with NN stacking, (0,1) configuration.

3 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BNNB(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BBNN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer BN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Twisted hBN bilayer NN(1,2) configuration.

2 properties

Simulated Supercell DfthBNStudied Material

Materials

hexagonal boron nitride

hBN

Studied Material

Also known as

boron nitridehBN

studied material

Properties

Type	Label	Value	Material	Sample	Condition	Source
Interlayer Distance	equilibrium interlayer distance	3.1angstrom	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—
Interlayer Distance	equilibrium interlayer distance	3.4angstrom	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BBNN(1,2) configuration.		—
Relative Energy	higher energy relative to most stable untwisted structures	20meV	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Untwisted hBN bilayer with NN stacking, (0,1) configuration.		—
Electronic Band Gap Character	band gap nature	indirect	hBN	Untwisted hBN bilayer with BB stacking, (0,1) configuration.Untwisted hBN bilayer with BBNN stacking, (0,1) configuratio Twisted hBN bilayer BBNN(1,2) configuration.		—
Electronic Band Gap Character	band gap nature	direct	hBN	Untwisted hBN bilayer with BNNB stacking, (0,1) configuratio Untwisted hBN bilayer with BN stacking, (0,1) configuration.Untwisted hBN bilayer with NN stacking, (0,1) configuration.Twisted hBN bilayer BB(1,2) configuration.Twisted hBN bilayer BNNB(1,2) configuration.Twisted hBN bilayer BN(1,2) configuration.Twisted hBN bilayer NN(1,2) configuration.		—

Why these are connected

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