相关论文: Compositional Inversion Symmetry Breaking in Ferro…
Ferroelectricity occurs in crystals with broken spatial inversion symmetry. In conventional perovskite oxides, concerted ionic displacements within a three-dimensional network of transition metal-oxygen polyhedra (MOx) manifest spontaneous…
We study the interplay of structural and polar distortions in hexagonal YMnO3 and short-period PbTiO3/SrTiO3 superlattices by means of first-principles calculations at constrained electric displacement field D. We find that in YMnO3 the…
Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…
Symmetry breaking governs most fascinating phenomena in crystals, such as ferroelectricity, nonlinear optics, piezoelectricity, ferromagnetism, and superconductivity. In two-dimensional materials, a wide variety of tuning knobs presents…
First-principles calculations are presented for the layered perovskite Ca$_3$Mn$_2$O$_7$. The results reveal a rich set of coupled structural, magnetic and polar domains in which oxygen octahedron rotations induce ferroelectricity,…
The stability of high-symmetry $P4mm$ polar phase in eleven ferroelectric perovskite superlattices with the polar discontinuity is studied from first principles. In most superlattices, this phase exhibits either the ferroelectric or the…
The problem of the spontaneous breaking of the symmetry in the crystals with variable composition is discussed. The character of the variation of the inhomogeneous superstructure depending on the substitutional atom concentration has been…
Compounds with distorted perovskite structure of the 4-f and 3-d transition metals with the common formula LnTO3 (where Ln is rare-earth element, T is an element from the Fe group) are the most multifold binary oxides of these two groups…
Polar metals based on binary and ternary compounds have been demonstrated in literature. Here, we propose a design principle for ferroelectric-like elemental polar metals and relate it to real materials. The design principle is that, to be…
The doped perovskite BaBiO$_3$ exhibits a maximum superconducting transition temperature ($T_c$) of 34 K and was the first high-$T_c$ oxide to be discovered, yet pivotal questions regarding the nature of both the metallic and…
2D Ruddlesden-Popper perovskites are compelling platforms for quantum-confined optoelectronics. However, polar order in iodide composition remains rare under ambient conditions, and the mechanistic origin of anomalous photoluminescence in…
We predict the existence of a novel class of multidimensional light localizations in out-of-equilibrium ferroelectric crystals. In two dimensions, the non-diffracting beams form at arbitrary low power level and propagate even when their…
Physical properties intermediate between constituents of alloys can be achieved as downward convex positive bowing, upward concave negative bowing, or zero bowing. Such bowing effects are essential for band gap engineering in semiconductor…
Antiperovskites share the same structure as perovskites, but allow completely different chemistries and nominal charge states of anions to be stabilized. This gives rise to many interesting phenomena, including septet superconductivity and…
Results from dielectric and structural measurements on epitaxial SrTiO$_3$/BaZrO$_3$ superlattices reveal properties that cannot be explained simply in terms of those measured on single films of the constituent materials. For large…
Ferroic transition metal oxides, which exhibit spontaneous elastic, electrical, magnetic or toroidal order, exhibit functional properties that find use in ultrastable solid-state memories to sensors and medical imaging technologies. To…
By means of single-crystal X-ray diffraction we have revealed the breaking of centrosymmetry when lowering the temperature under T$_s$ = 200 K concomitantly with the setting of a commensurate superstructure in the small A-site quadruple…
Ferroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing that switchable polarization can emerge…
A centrosymmetric stress cannot induce a polar response in centric materials, piezoelectricity is, for example, possible only in non-centrosymmetric structures. An exception is meta-materials with shape asymmetry, which may be polarized by…
Inversion and time reversal are essential symmetries for the structure of Cooper pairs in superconductors. The loss of one or both leads to modifications to this structure and can change the properties of the superconducting phases in…