Related papers: Engineered spatial inversion symmetry breaking in …
A major impediment towards realizing technologies based on the emerging principles of antiferromagnetic spintronics is the shortage of suitable materials. In this paper, we propose a design of polar|nonpolar heterostructures of perovskite…
High-temperature electronic materials are in constant demand as the required operational range for various industries increases. Here we design $(A,A^\prime)B_2$O$_6$ perovskite oxides with [111] ``rock salt" $A$-site cation order and…
There has been tremendous research activity in the field of magneto-electric (ME) multiferroics after Kimura et al. [1] showed that antiferromagnetic and ferroelectric order coexist in orthorhom- bically distorted perovskite TbMnO3 and are…
While nature provides a plethora of perovskite materials, only a few exhibits large ferroelectricity and possibly multiferroicity. The majority of perovskite materials have the non-polar CaTiO$_3$(CTO)structure, limiting the scope of their…
The switching characteristics of ferroelectrics and multiferroics are influenced by the interaction of topological defects with domain-walls. We report on the pinning of polarization due to antiphase boundaries in thin films of the…
We describe the design of a new magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly-insulating…
We report the emergence of a transverse dielectric response in PbTiO$_{3}$/SrTiO$_{3}$ superlattices hosting polar vortex structures. Using second-principles simulations, we find that an electric field applied along one direction induces…
Ferroelectricity in perovskites is known to be suppressed by a moderate hydrostatic pressure. The notion that a polar instability should reappear in a higher pressure regime is well accepted theoretically but experiments have failed so far…
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…
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…
Recent experimental and theoretical work has shown that the double perovskite NaLaMnWO$_6$ exhibits antiferromagnetic ordering owing to the Mn $d$ states, and computational studies further predict it to exhibit a spontaneous electric…
Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework [NH$_2$(CH$_3$)$_2$][Fe$^{\rm III}$Fe$^{\rm II}$(HCOO)$_6$]…
Organic-inorganic halide perovskite solar cells have recently attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. The reduction from three- to two-dimension (2D) promises an…
Conventional perovskite-type ferroelectrics are based on octahedral units of oxygen, and often comprise toxic Pb to achieve robust ferroelectricity. Here, we report the ferroelectricity in a silicate-based compound, Bi2SiO5 (BSO), induced…
The first switchable electric polarization in metals was recently discovered in bilayer and trilayer WTe2. Strangely, despite the tininess of the ordered polarization, the ferroelectricity survives up to 350 K, rendering the mechanism of…
The (001) surfaces of polar perovskites BaTiO$_3$ and PbTiO$_3$ have been studied from first principles at T=0 K. For both cases of polarization, the most stable TiO-terminated interfaces show intrinsic ferroelectricity. In the topmost…
We report magnetic, transport, neutron diffraction, and muon spin rotation data showing that Pb$_2$CoOsO$_6$, a newly synthesized metallic double-perovskite with a centrosymmetric space group at room temperature, exhibits a continuous…
The compound Ba3HoRu2O9 magnetically orders at 50 K (TN1) followed by another complex magnetic ordering at 10.2 K (TN2). The 2nd magnetic phase transition was characterized by the co-existence of two competing magnetic ground states…
We report on the synthesis and characterization of BiFe0.5Mn0.5O3, a potential type-I multiferroic compound displaying temperature induced magnetization reversal. Bulk samples were obtained by means of solid state reaction carried out under…
A complete solid solution series between the t2g^4 perovskite ferromagnet SrRuO3 and the diamagnetic t2g^6 perovskite LaRhO3 has been prepared. The evolution with composition x in (SrRuO3)(1-x)(LaRhO3)(x) of the crystal structure and…