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 …

Polarons are quasiparticles that emerge from the interaction of fermionic particles with
bosonic fields. In crystalline solids, polarons form when electrons and holes become …

Recently, two-dimensional Janus materials have attracted increasing interest due to their
unique structure and novel properties. Based on density-functional and many-body …

The synaptic plasticity observed in biological synapses encompasses various timescales
crucial for memory, learning, and diverse signal processing with minimal power …

Electronic structure calculations based on density functional theory (DFT) have successfully
predicted numerous ground-state properties of a variety of molecules and materials …

Monolayer hexagonal boron nitride (hBN) has been widely considered a fundamental
building block for 2D heterostructures and devices. However, the controlled and scalable …

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 …

Accurate prediction of electronic and optical excitations in van der Waals (vdW) materials is
a long-standing challenge for density functional theory. The recent Wannier-localized …

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 …

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 …