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First principles investigation of the optoelectronic properties of Molybdenum dinitride for optical sensing applications
1  The University of Jordan
Academic Editor: Run Zhang (registering DOI)

The electronic and optical properties of the newly synthesized Molybdenum dinitride (MoN2) in the hypothetical 2H structure analogous to MoS2 is investigated using the Density Functional Theory (DFT) full potential linearized augmented plane wave (FP-LAPW) method and the Modified Becke-Johnson (mBJ) approximation. The aim is to investigate the optoelectronic properties of this compound for potential optical sensing applications and compare with the capabilities of MoS2 in this field.

As compared to MoS2, which is a semiconductor, MoN2 is found to be a semi metal from the band structure and the density of states (DOS) plots. The dielectric function, optical conductivity and the optical constants, namely, the refractive index, the reflectivity, the extinction and absorption coefficients are evaluated and compared with those of MoS2 and discussed with reference to the sensing performance.

Keywords: Layered materials; Electronic structure; Dielectric function; Optical conductivity; optical constants; optical sensing
Comments on this paper
Wajeeh Aqra
Molybdenum dinitride for optical sensing applications
Interesting work, Congratulatiotext ns! All the best.

Maha Aqra
Molybdenum dinitride for optical sensing applications
Good Work , Congratulations