Related papers: Compositional Inversion Symmetry Breaking in Ferro…
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…
Double perovskites of the form A_2BB'O_6 usually involve a transition metal ion, B, with a large magnetic moment, and a non magnetic ion B'. While many double perovskites are ferromagnetic, studies on the underlying model reveal the…
Hybrid organic--inorganic perovskites with broken inversion symmetry provide a fertile ground for uncovering coupled spin-orbit and ferroelectric phenomena. Here, we investigate the layered family (PA)$_2$CsY$_2$X$_7$ (Y = Pb, Sn; X = I,…
Ferroelasticity describes a phenomenon in which a material exhibits two or more equally stable orientation variants and can be switched from one form to another under an applied stress. Recent works have demonstrated that two-dimensional…
The wealth of complex polar topologies recently found in nanoscale ferroelectrics result from a delicate balance between the materials intrinsic tendency to develop a homogeneous polarization and the electric and mechanic boundary…
The recent observation of a ferroelectric-like structural transition in metallic LiOsO$_3$ has generated a flurry of interest in the properties of polar metals. Such materials are thought to be rare because free electrons screen out the…
Experiments demonstrating the controlled growth of oxide heterostructures have raised the prospect of realizing topologically nontrivial states of correlated electrons in low dimensions. Here, we study heterostructures consisting of…
It is of great interest to design and make materials in which ferroelectric polarisation is coupled to other order parameters such as lattice, magnetic and electronic instabilities. Such materials will be invaluable in next-generation data…
In this work, we report the synthesis and investigation of structural, electronic, and magnetic properties of La$_{1.5}$Ca$_{0.5}$(Co$_{0.5}$Fe$_{0.5}$)IrO$_6$. Our polycrystalline sample forms as a single-phase double perovskite in…
Perovskite solid solutions PbHfO3-PbSnO3 offer valuable opportunities for studying the formation mechsnisms of incommensurate phases, owing to the presence of an intermediate (between cubic and incommensurate) phase, which is stabilized in…
Multiferroic materials, characterized by the coexisting of ferroelectric polarization (breaking spatial inversion symmetry) and magnetism (breaking time-reversal symmetry), with strong magnetoelectric coupling, are highly sought after for…
The presence of a switchable spontaneous electric polarization makes ferroelectrics ideal candidates for the use in many applications such as memory and sensors devices. Since known ferroelectrics are rather limited, finding new…
We study dielectric breakdown in a semi-classical bond percolation model for nonlinear composite materials introduced by us and the related breakdown exponent near the percolation threshold in two dimensions. The breakdown exponent after…
Symmetry breaking in topological matter has become in recent years a key concept in condensed matter physics to unveil novel electronic states. In this work, we predict that broken inversion symmetry and strong spin-orbit coupling in…
Using first-principles supercell calculations, we have investigated energetic, structural and dielectric properties of three different A(B'B'')O_3 perovskite alloys: Ba(Zn_{1/3}Nb_{2/3})O_3 (BZN), Pb(Zn_{1/3}Nb_{2/3})O_3 (PZN), and…
Hybrid Improper Ferroelectricity (HIF) allows the generation of an electrical polarization in the AA'BB'O$_6$ double perovskite materials thanks to the combination of two non-polar octahedral distortions. Nevertheless, for selected…
Under normal conditions, bulk crystals of BiScO$_3$ , BiCrO$_3$, BiMnO$_3$, BiFeO$_3$, and BiCoO$_3$ present three very different variations of the perovskite structure: an antipolar phase, a rhombohedral phase with a large polarization…
The electron spin polarization on half-metallic double-perovskites is usually conditioned to the ordered rock-salt arrangement of the transition-metal ions along the lattice. In this work, we investigate a polycrystalline sample of the…
This work presents a comprehensive investigation of the thermoelectric properties of bulk hybrid perovskites with the general formula MAxCs1-xSnI3 (0 < x < 1). A series of bulk samples were synthesized and systematically characterized to…
Chalcogenide perovskites, particularly II-IV ABS3 compounds, are a promising class of materials for optoelectronic applications. However, these materials frequently exhibit instability in two respects: 1) a preference for structures…