{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["15(1)"],"submitter":["Esmaeili S"],"pubmed_abstract":["The study investigated the effects of Sr-doping on BaTiO₃ regarding the mean square displacement, diffusion coefficient, polarization-strain response, dielectric constant, and dielectric loss. Initially, increasing strontium doping up to 6% enhanced the mean square displacement (from 0.211 to 0.218 Å<sup>2</sup>) and the diffusion coefficient (from 0.361 to 0.380 nm<sup>2</sup>/ns) due to improved atomic mobility and lattice dynamics. However, further doping to 8% caused a decrease in both the mean square displacement and the diffusion coefficient, due to structural disorder and defects that impeded atomic movement. Similarly, the piezoelectric coefficient increased from 273.07 pC/N to 321.15 pC/N with 6% doping but declined to 308.65 pC/N at 8%. This indicated enhanced polarization at mod"],"journal":["Scientific reports"],"pagination":["8404"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11897199"],"repository":["biostudies-literature"],"pubmed_title":["Sr-doping effects on piezoelectric and dielectric properties of lead-free barium titanate via molecular dynamics approach."],"pmcid":["PMC11897199"],"pubmed_authors":["Saber-Samandari S","Ehsani MH","Toghraie D","Esmaeili S"],"additional_accession":[]},"is_claimable":false,"name":"Sr-doping effects on piezoelectric and dielectric properties of lead-free barium titanate via molecular dynamics approach.","description":"The study investigated the effects of Sr-doping on BaTiO₃ regarding the mean square displacement, diffusion coefficient, polarization-strain response, dielectric constant, and dielectric loss. Initially, increasing strontium doping up to 6% enhanced the mean square displacement (from 0.211 to 0.218 Å<sup>2</sup>) and the diffusion coefficient (from 0.361 to 0.380 nm<sup>2</sup>/ns) due to improved atomic mobility and lattice dynamics. However, further doping to 8% caused a decrease in both the mean square displacement and the diffusion coefficient, due to structural disorder and defects that impeded atomic movement. Similarly, the piezoelectric coefficient increased from 273.07 pC/N to 321.15 pC/N with 6% doping but declined to 308.65 pC/N at 8%. This indicated enhanced polarization at mod","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Mar","modification":"2025-04-03T23:57:27.224Z","creation":"2025-04-03T23:57:27.224Z"},"accession":"S-EPMC11897199","cross_references":{"pubmed":["40069577"],"doi":["10.1038/s41598-025-92959-w"]}}