相关论文: Atom probe analysis of BaTiO3 enabled by metallic …

Perovskite oxides are promising for energy and quantum technologies, but wide-gap hosts such as NaAlO3 suffer from deep-UV absorption and limited carrier transport. Using first-principles GGA+U+SOC calculations, we investigate Eu3+-, Gd3+-,…

A heterostructure of Ba$_{1-x}$Sr$_x$TiO$_3$/La$_{1.1}$Sr$_{0.9}$NiO$_3$ /SrTiO$_3$ has been analysed by magnetic sector secondary ion mass spectrometry (SIMS). The stoichiometry parameter $x$ of the top layer was made varying continuously…

This paper analyzes how the ferroelectric properties of cubic-like BiFeO$_3$ nanoparticles are affected by different terminations and charge distributions at the surface using ab-initio-based atomistic computational experiments. Our…

We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO$_3$, LiTaO$_3$ and Li$_2$NbTaO$_6$ using the first-principles calculation based on the density functional theory. It also shows…

Barium titanate (BaTiO$_3$) is a compelling material for integrated photonics due to its strong electro-optic and second-order nonlinear properties. Crystal Ion Slicing (CIS) presents a scalable and CMOS-compatible route for fabricating…

Here, we report the existence of large remnant polarization and dielectric constant in PbTiO3 buffered polycrystalline (BiFeO_3)_{1-x} (PbTiO_3)_x thin films of composition x = 0.25, 0.30 and 0.35 around the morphotropic phase boundary. The…

The dependence of the electrical conductivity on the oxygen partial pressure is calculated for the prototypical perovskite $\Ba\Ti\O_3$ based on data obtained from first-principles calculations within density functional theory. The…

Atom probe tomography is frequently employed to characterize the elemental distribution in solids with atomic resolution. Here we review and discuss the potential of this technique to locally probe chemical bonds. Two processes characterize…

We report that an energetic plasma process is extremely effective in enlarging the unit cell volume and ferroelectric distortion of the ferroelectric oxides, resulting in a significant increase in its Tc. We demonstrate experimentally that…

The bulk photovoltaic effect exhibited by the non-centrosymmetric system gains research interest due to the observed large open-circuit voltage. The ferroelectric systems exhibiting anomalous photovoltaic effect are mostly crystallized with…

We present mechanical measurements performed at low temperatures on cantilever-based microelectro-mechanicalstructures(MEMS) coated with a metallic layer. Two very different coatings are presented in order to illustrate the capabilities of…

Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the freestanding BaTiO3 thin films. This property may originate…

Epitaxial bilayered thin films consisting of La0.6Sr0.4MnO3 (LSMO) and 0.7 Pb(Mg1/3Nb2/3)O3 0.3 PbTiO3 (PMN-PT) layers of relatively different thicknesses were fabricated on LaNiO3 coated LaAlO3 (100) single crystal substrates by pulsed…

Wide-bandgap perovskite stannates are of interest for the emergent all-oxide transparent electronic devices due to their unparalleled room temperature electron mobility. Considering the advantage of amorphous material in integrating with…

We use first-principles density functional theory calculations to investigate the dielectric response of BaZrO$_3$ perovskite. A previous study [Arkbarzadeh {\em et al.} Phys. Rev. B {\bf 72}, 205104 (2005)] reported a disagreement between…

Density functional calculations are carried out to study the symmetry and substitution-driven electronic phase transition in BaPb$_{1-x}$Sn$_x$O$_3$. Two end members BaSnO$_3$ and BaPbO$_3$, are found to be insulating and metallic,…

In polarizable materials, electronic charge carriers interact with the surrounding ions, leading to quasiparticle behaviour. The resulting polarons play a central role in many materials properties including electrical transport, optical…

We present an inexpensive first-principles approach for describing quantum paraelectricity that combines density functional theory (DFT) treatment of the electronic subsystem with quantum mechanical treatment of the ions through solution of…

We report the magnetic and electrical characteristics of a polycrystalline specimen of FeTiO3 synthesized at high pressure that is isostructural with acentric LiNbO3 (LBO). Piezoresponse force microscopy, optical second harmonic generation,…

We measured the temperature dependences of the capacity and dielectric losses of the tape-casted dense ferroelectric composites consisting of 28 vol.% BaTiO3 nanoparticles (average size 24 nm) in the polyvinyl butyral polymer and 35 vol.%…