Beyond Cation Disorder: Site Symmetry‐Tuned Optoelectronic Properties of the Ternary Nitride Photoabsorber ZrTaN3
Ternary nitrides are rapidly emerging as promising compounds for optoelectronic and
energy conversion applications, yet comparatively little of this vast composition space has …
energy conversion applications, yet comparatively little of this vast composition space has …
Exploring Nitrides: A Promising Alternative Class of Narrow Bandgap Semiconductors
Nitrides are emerging as a highly promising class of narrow bandgap semiconductors,
recognized for their distinctive electronic and optical properties. Narrow bandgap nitrides …
recognized for their distinctive electronic and optical properties. Narrow bandgap nitrides …
Structural and optoelectronic properties of thin film
Nitride perovskites are an emerging class of materials that have been predicted to display a
range of interesting physics and functional properties, but they are highly underexplored due …
range of interesting physics and functional properties, but they are highly underexplored due …
Predicting band gaps of ABN 3 perovskites: an account from machine learning and first-principle DFT studies
The present paper is primarily focused on predicting the band gaps of nitride perovskites
from machine learning (ML) models. The ML models have been framed from the feature …
from machine learning (ML) models. The ML models have been framed from the feature …
Dopant-induced modulation of ferroelectricity in perovskite nitride
Perovskite nitrides are starting to be explored for their promising properties distinct from their
oxide counterparts. Here, through first-principles density functional computations, we study …
oxide counterparts. Here, through first-principles density functional computations, we study …
Structure, electronic and magneto-elastic properties of rare earth nitrides Ln3NIn (Ln= Nd, Pm, Sm, Eu, Gd, Tb) anti-perovskites
Electronic structure and magneto-elastic characteristics of lanthanide nitrides Ln 3 NIn (Ln=
Nd-Tb) are explored by DFT. The structural reported data are reliable with the experimental …
Nd-Tb) are explored by DFT. The structural reported data are reliable with the experimental …
A single-phase epitaxially grown ferroelectric perovskite nitride
S Choi, Q **, X Zi, D Rong, J Fang, J Zhang… - ar** functional
devices, such as field-effect transistors, tunnel junctions, and nonvolatile memories …
devices, such as field-effect transistors, tunnel junctions, and nonvolatile memories …