2D BeP₂ monolayer: investigation of electronic and optical properties by driven modulated strain

Abstract

BeP2 monolayer is a promising material for the novel IR optical device.

Examining computationally the structural, elastic, optical, and electronic properties of CaQCl3 (Q = Li and K) chloroperovskites using DFT framework

“…According to the literature, chloroperovskites are more stable than other halides perovskites. [15][16][17] Due to their special characteristics of tunable laser, 18 electron-phonon interactions, 19,20 crystal elds, 21 ferroelectricity, 22 phase transition behaviors, 23 antiferromagnetism, 24 semiconductivity, 25 and as a scintillating material, 26 the perovskite compounds have a comprehensive range of applications. The high intensity, high directivity, and high energy 27 scintillating materials and scintillators are widely employed in a variety of applications, 28,29 including healthcare (medical imaging), 30 calorimetry in high energy physics, territorial security, 31 industrial screening, 32 and astronomy.…”

Descriptors of intrinsic hydrodynamic thermal transport: screening a phonon database in a machine learning approach

“…In the case of SiP, Jiang et al [68] showed that in its monolayer form can achieve a ZT ∼0.8 and a Seebeck coefficient of 3 mV K −1 , opening the door to further improvements for nanoscale P-based materials. In the case of BeP 2 , its bulk ZT is around 1, and in addition several works have highlighted the greatly tunable electronic properties that exhibit in its monolayer and penta-monolayer form [69,70]. GeAs 2 has been reported to be a material with ultralow thermal conductivity and high thermoelectric efficiency [71], showing a Seebeck coefficient higher than 0.3 mV K −1 with high carrier concentration.…”

Descriptors of intrinsic hydrodynamic thermal transport: screening a phonon database in a machine learning approach

“…al [60] showed that in its monolayer form can achieve a ZT∼0.8 and a Seebeck coefficient of 3 mV/K, opening the door to further improvements for nanoscale P-based materials. In the case of BeP 2 , its bulk ZT is around 1, and in addition several works have highlighted the greatly tunable electronic properties that exhibit in its monolayer and penta-monolayer form [61,62]. GeAs 2 has been reported to be a material with ultralow thermal conductivity and high thermoelectric efficiency [63], showing a Seebeck coefficent higher than 0.3 mV/K with high carrier concentration.…”