A theoretical study of dielectric tensor, Born effective charges, LO-TO splitting and infrared response of Al4SiC4 and Al4Si2C5
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2016.09.114
Abstract: Abstract The optical dielectric functions and dielectric constants are obtained using hybrid density functional HSE06 for Al4SiC4 and Al4Si2C5 structures. The LO-TO splittings, Born effective charges and phonon eigenvectors are calculated for them by density… read more here.
Keywords: al4sic4 al4si2c5; dielectric constants; born effective; effective charges ... See more keywords
Nonadiabatic Born Effective Charges in Metals and the Drude Weight.
Sign Up to like & getrecommendations! Published in 2022 at "Physical review letters"
DOI: 10.1103/physrevlett.128.095901
Abstract: In insulators, Born effective charges describe the electrical polarization induced by the displacement of individual atomic sublattices. Such a physical property is at first sight irrelevant for metals and doped semiconductors, where the macroscopic polarization… read more here.
Keywords: born effective; charges metals; drude weight; nonadiabatic born ... See more keywords