Theoretical methods for calculations of optical phonons in BiOBr: Analysis and correction of propagated errors Abstract: Theoretical and experimental methods were employed to investigate the vibrational modes of BiOBr. Wavenumber prediction and assignments of the infrared […]
First-principles calculations and Raman scattering evidence for local symmetry lowering in rhombohedral ilmenite: temperature- and pressure-dependent studies Abstract: ATiO(3)-type materials may exist in two different crystalline forms: the perovskite and ilmenite. While many papers have devoted […]
Conducting Behavior of Crystalline alpha-pbo(2) as Revealed by DFT Calculations Abstract: PbO2 is one material that has recently emerged as potential transparent conducting oxide for applications in the modern opto-electronic industry. In this work the […]
Magnetic properties, x-ray absorption spectroscopy and electronic structure of GdCrTiO5 Abstract: We study the electronic structure of GdCrTiO5 polycrystals by means of magnetic susceptibility and heat capacity measurements, as well as x-ray absorption spectroscopies on […]
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