Abstract
First principles calculations, by means of the full potential linearized augmented plane wave method within the local density approximation, were carried out for the pressure dependence of the electronic and optical properties of the orthorhombic compounds FeP2 and FeAs2. The variation of the energy gaps has the same trend in both compounds. All the first order band gap pressure coefficients are positive except the T−T one in FeP2 and the one corresponding to smallest indirect gap which are negative. The structures in the optical spectra shift towards higher energies when pressure increases. The static dielectric components decrease with pressure and show anisotropic behavior.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
