Density functional theory-based ab initio molecular dynamics simulation of ionic conduction in N-/F-doped ZrO2 under epitaxial strain
Sign Up to like & getrecommendations! Published in 2018 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2018.07.038
Abstract: Abstract In this study, we investigated oxide ion conduction in N-/F-doped ZrO2 systems under tensile epitaxial strain by ab initio molecular dynamics (MD) simulations. In our previous study, we discussed the effects of lattice strain,… read more here.
Keywords: oxide ion; conduction doped; zro2; doped zro2 ... See more keywords
Targeted chemical pressure yields tuneable millimetre-wave dielectric
Sign Up to like & getrecommendations! Published in 2019 at "Nature Materials"
DOI: 10.1038/s41563-019-0564-4
Abstract: Epitaxial strain can unlock enhanced properties in oxide materials, but restricts substrate choice and maximum film thickness, above which lattice relaxation and property degradation occur. Here we employ a chemical alternative to epitaxial strain by… read more here.
Keywords: chemical pressure; targeted chemical; epitaxial strain; millimetre wave ... See more keywords
Enhanced magnetism in lightly doped manganite heterostructures: strain or stoichiometry?
Sign Up to like & getrecommendations! Published in 2019 at "Nanoscale"
DOI: 10.1039/c8nr09693g
Abstract: Lattice mismatch induced epitaxial strain has been widely used to tune functional properties in complex oxide heterostructures. Apart from the epitaxial strain, a large lattice mismatch also produces other effects including modulations in microstructure and… read more here.
Keywords: lightly doped; stoichiometry; enhanced magnetism; epitaxial strain ... See more keywords
Structural analysis of LaVO3 thin films under epitaxial strain
Sign Up to like & getrecommendations! Published in 2018 at "APL Materials"
DOI: 10.1063/1.5021844
Abstract: Rare earth vanadate perovskites exhibit a phase diagram in which two different types of structural distortions coexist: the strongest, the rotation of the oxygen octahedra, comes from the small tolerance factor of the perovskite cell… read more here.
Keywords: thin films; epitaxial strain; lavo3 thin; structural analysis ... See more keywords
Epitaxial strain and thickness dependent structural, electrical and magnetic properties of La0.67Sr0.33MnO3 films
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Physics D: Applied Physics"
DOI: 10.1088/1361-6463/ab8e7b
Abstract: The crystal structural quality and the strain induced by the substrate strictly impose the magnetic and transport properties of La0.67Sr0.33MnO3 (LSMO) films. In particular, the magnetic anisotropy (MA) of epitaxial LSMO can be finely tuned… read more here.
Keywords: properties la0; epitaxial strain; la0 67sr0; 67sr0 33mno3 ... See more keywords
Stable polar oxynitrides through epitaxial strain
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.5.114404
Abstract: We investigate energetically favorable structures of ABO$_2$N oxynitrides as functions of pressure and strain via swarm-intelligence-based structure prediction methods, DFT lattice dynamics and first-principles molecular dynamics. We predict several thermodynamically stable polar oxynitride perovskites under… read more here.
Keywords: polar oxynitrides; oxynitrides epitaxial; epitaxial strain; stable polar ... See more keywords
Epitaxial strain engineering of luminescent properties in ZnGa2O4:Mn thin films
Sign Up to like & getrecommendations! Published in 2020 at "Applied Physics Express"
DOI: 10.35848/1882-0786/aba286
Abstract: Epitaxial strain engineering of luminescent properties in ZnGa2O4:1%Mn thin films was demonstrated by changing both the O2 gas pressure in the deposition chamber and the film thickness. Films were prepared under pressures of 0.2 and… read more here.
Keywords: engineering luminescent; epitaxial strain; luminescent properties; strain ... See more keywords