Raman Scattering Spectra of β-LiNH4SO4 Crystals

Electronic Structure, Optical, and Elastic Properties of AgGaS2 Crystal: Theoretical Study

“…In this work, we propose the methodology of the electronic properties calculations of the AgGaS 2 crystal in the frame of LDA and GGA attempts, which can be easily extended to predict the various properties of similar groups of materials. [ 46,47 ] These methods have proven to be well consistent with experimental results and at the same time do not require significant computational time as when by using hybrid methods or functionals of a much more complex form. Using CASTEP to calculate electronic structure of chalcogenides is also very common and relevant (see, e.g.…”