Polytypes of sp2-Bonded Boron Nitride
The sp2-bonded layered compound boron nitride (BN) exists in more than a handful of
different polytypes (ie, different layer stacking sequences) with similar formation energies …
different polytypes (ie, different layer stacking sequences) with similar formation energies …
Polarons in two-dimensional atomic crystals
WH Sio, F Giustino - Nature Physics, 2023 - nature.com
Polarons are quasiparticles that emerge from the interaction of fermionic particles with
bosonic fields. In crystalline solids, polarons form when electrons and holes become …
bosonic fields. In crystalline solids, polarons form when electrons and holes become …
Two Janus Ga 2 STe monolayers and their electronic, optical, and photocatalytic properties
H Shu - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Recently, two-dimensional Janus materials have attracted increasing interest due to their
unique structure and novel properties. Based on density-functional and many-body …
unique structure and novel properties. Based on density-functional and many-body …
Recent developments in the state-of-the-art optoelectronic synaptic devices premised on 2D materials: A review
The synaptic plasticity observed in biological synapses encompasses various timescales
crucial for memory, learning, and diverse signal processing with minimal power …
crucial for memory, learning, and diverse signal processing with minimal power …
Nonempirical range-separated hybrid functional with spatially dependent screened exchange
Electronic structure calculations based on density functional theory (DFT) have successfully
predicted numerous ground-state properties of a variety of molecules and materials …
predicted numerous ground-state properties of a variety of molecules and materials …
Scalable synthesis of monolayer hexagonal boron nitride on graphene with giant bandgap renormalization
Monolayer hexagonal boron nitride (hBN) has been widely considered a fundamental
building block for 2D heterostructures and devices. However, the controlled and scalable …
building block for 2D heterostructures and devices. However, the controlled and scalable …
Large shift currents via in-gap and charge-neutral excitons in a monolayer and nanotubes of BN
We perform ab initio many-body calculations to investigate the exciton shift current in small-
diameter zigzag BN nanotubes and also single BN sheet, using the GW plus Bethe-Salpeter …
diameter zigzag BN nanotubes and also single BN sheet, using the GW plus Bethe-Salpeter …
Revisiting the substitutional Mg acceptor binding energy of AlN
R Ishii, A Yoshikawa, M Funato, Y Kawakami - Physical Review B, 2023 - APS
Bipolar (n-and p-type) electric conductivity control is at the heart of semiconductor
technologies. However, achieving such control in ultrawide-band-gap semiconductors has …
technologies. However, achieving such control in ultrawide-band-gap semiconductors has …
Optical excitations of graphene-like materials: group III-nitrides
NT Han, VK Dien, TR Chang, MF Lin - Nanoscale Advances, 2023 - pubs.rsc.org
By using first-principles calculations, we have studied the electronic and optical
characteristics of group III-nitrides, such as BN, AlN, GaN, and InN monolayers. The …
characteristics of group III-nitrides, such as BN, AlN, GaN, and InN monolayers. The …
Theoretical methods for excitonic physics in 2D materials
MFCM Quintela, JCG Henriques… - … status solidi (b), 2022 - Wiley Online Library
In this Perspective article, the reader is introduced to several theoretical methods of
determining the exciton wave functions and the corresponding eigenenergies. The methods …
determining the exciton wave functions and the corresponding eigenenergies. The methods …