arXiv subjects

Asadollah Bafekry

Publications and source records attributed to Asadollah Bafekry.

3 recordsLinked to original sources

arXiv2023

Response to "Comment on 'A novel two-dimensional boron-carbon-nitride (BCN) monolayer: A first-principles insight [J. Appl. Phys. 2021, 130, 114301]'"

Recently, reported a comments on the our paper [JAP21-AR-03574R].. For clarification, we applied the fingerprint theory to examine the similarity between the distinct structures. The fingerprint function is a crystal structure descriptor, an 1D-function related to the pair correlation function and diffraction patterns. It does not depend on absolute atomic coordinates, but only on interatomic distances. Small deviations in atomic positions will influence the fingerprints only slightly [1-3]. Fingerprint theory allows quantification of the degree of order and complexity of a crystal structure.

physics.comp-ph↗

arXiv2023

Response to Comment on (Novel two-dimensional porous graphitic carbon nitride C6N7 monolayer: A First-principle calculations [Appl. Phys. Lett. 2021, 119, 142102])

Recently, reported a comments on the our paper [Appl. Phys. Lett. 119, 142102 (2021)]. With our response, the APL journal rejected their non scientific comments. There are some ambiguities about their claim: 1-They can check the phonon dispersion of their structure to see ZA out-of-plane mode. 2-They report the uniaxial stress-strain responses in Fig 2., which is unrelated to our paper. For a more helpful understanding of the mechanical properties of the novel C6N7 monolayer, they can publish a paper. 3-They mentioned: Using the DFT method and with assuming a thickness of 3.35 A for the C6N7 monolayer based on graphene thickness. Why did they choose this thickness while we know our C6N7 monolayer is at without buckling? The distance of ZA out-of-plane movement of ions in C6N7 is different from Graphene.

physics.comp-ph↗

arXiv2022

Strain Modulated Electronic and Optical Properties of Laterally Stitched MoSi2N4/XSi2N4 (X=W, Ti) 2D Heterostructures

We used first-principles calculations to investigate the laterally stitched monolayered MoSi2N4/XSi2N4 (X=W, Ti) 2D heterostructures. The structural stability of such heterostructures is confirmed by the phonon spectra exhibiting no negative frequencies. From the electronic band structures, the MoSi2N4/WSi2N4-lateral heterostructure (MWLH) shows semiconducting nature with an indirect bandgap of 2.35 eV, while the MoSi2N4/TiSi2N4-lateral heterostructure (MTLH) revealed metallic behavior. Moreover, the effect of biaxial strain on the electronic and optical properties of MWLH is studied, which indicated substantial modifications in their electronic and optical spectra. In particular, an indirect to direct bandgap semiconducting transition can be achieved in MWLH via compressive strain. Besides, the absorbance, transmittance and reflectance spectra can effectively be tuned by means of biaxial strain. Our findings provide insights into the strain engineering of electronic and optical features, which could pave the way for future nano- and optoelectronic applications.

cond-mat.mtrl-sci↗