Using finite-temperature phonon calculations and machine-learning methods, we assess the mechanical stability of about 400 semiconducting oxides and fluorides with cubic perovskite …
We present here the topological (Bader) analysis of the electronic structure for 120 cubic perovskites AMX 3 (A denotes Li, Na, K, Rb, Cs; M denotes Be, Mg, Ca, Sr, Ba, Zn; X …
The ab initio Perturbed Ion (aiPI) quantum mechanical method is used to study the solid state reaction: AX+ MX2→ AMX3 from a thermodynamical point of view. The reaction energy …
BaLiF3 crystals doped with two different concentrations of the transition metal ion Co2+ (0.05 and 0.44 mol%) were studied. The observed optical properties of both crystals are …
No presente trabalho, foram estudados os processos de preparação dos compostos BaLiF?(BLF) e LiSrAlFe (LiSAF), puros e dopados com Ni^^ e^ Cr'\respectivamente …
The optical and thermal properties of dental tissues determine the nature and extent of the tissue response through the processes of absorption, transmission, reflection and scattering …