Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Alejandro José Uría-Alvarez; Juan José Esteve-Paredes; M. A. García-Blázquez; Juan José Palacios

doi:10.1103/PhysRevB.21.4656

Paper details

Research paper

Theoretical

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Alejandro José Uría-Alvarez, Juan José Esteve-Paredes, M. A. García-Blázquez, Juan José Palacios

Computer Physics Communications·2023·10.1103/PhysRevB.21.4656·arXiv:2307.01572

Samples

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

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

No measurements recorded

BNStudied Material

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

9 properties

MoS₂Studied Material

Materials

hBN

Studied Material

Also known as

hexagonal boron nitride

studied material

MoS₂

Studied Material

Also known as

Why these are connected

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

Efficient computation of optical excitations in two-dimensional materials with the Xatu code | Matter42 Literature

Properties

Type	Label	Value	Material	Sample	Source
Exciton Binding Energy	exciton 1	0.3527eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 2	0.3403eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 3	0.2095eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 4	0.1968eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Band Gap	direct gap at K	2.12eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 1	1.7673eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 2	1.7797eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 3	1.9105eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 4	1.9232eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—

Properties

Type	Label	Value	Material	Sample	Source
Exciton Binding Energy	exciton 1	0.3527eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 2	0.3403eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 3	0.2095eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 4	0.1968eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Band Gap	direct gap at K	2.12eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 1	1.7673eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 2	1.7797eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 3	1.9105eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 4	1.9232eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—

Properties

Type	Label	Value	Material	Sample	Source
Exciton Binding Energy	exciton 1	0.3527eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 2	0.3403eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 3	0.2095eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 4	0.1968eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Band Gap	direct gap at K	2.12eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 1	1.7673eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 2	1.7797eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 3	1.9105eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 4	1.9232eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—

Properties

Type	Label	Value	Material	Sample	Source
Exciton Binding Energy	exciton 1	0.3527eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 2	0.3403eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 3	0.2095eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Binding Energy	exciton 4	0.1968eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Band Gap	direct gap at K	2.12eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 1	1.7673eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 2	1.7797eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 3	1.9105eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—
Exciton Energy	exciton 4	1.9232eV	MoS₂	Simulated monolayer MoS₂ system used to demonstrate the Xatu	—

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Efficient computation of optical excitations in two-dimensional materials with the Xatu code

Samples

Simulated monolayer hBN system used as a benchmark two-dimensional material for excitonic calculations.

Simulated monolayer MoS₂ system used to demonstrate the Xatu Bethe-Salpeter implementation.

Materials

Why these are connected

Properties

Simulations

Properties

Simulations

Properties

Simulations

Properties

Simulations