Browsing Zinātniskie raksti (CFI) / Scientific articles by Subject "GGA+U"
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Overview of the Structural, Electronic and Optical Properties of the Cubic and Tetragonal Phases of PbTiO3 by Applying Hubbard Potential Correction
(MDPI, 2023)We have performed a systematic study resulting in detailed information on the structural, electronic and optical properties of the cubic (Pm (Formula presented.) m) and tetragonal (P4mm) phases of PbTiO3 applying the GGA/PBE ...