Related papers: Insights into Chemical and Structural Order at Pla…
We investigate theoretically the phase diagram of a classical Heisenberg antiferromagnet on the pyrochlore lattice perturbed by a weak second-neighbor interaction J_2. The huge ground state degeneracy of the nearest-neighbor Heisenberg…
We have fabricated PbTiO$_{3}$/SrRuO$_{3}$ superlattices with ultra-thin SrRuO$_{3}$ layers. Due to the superlattice geometry, the samples show a large anisotropy in their electrical resistivity, which can be controlled by changing the…
Antiferromagnetic order, being a ground state of a number of exotic quantum materials, is of immense interest both from the fundamental physics perspective and for driving potential technological applications. For a complete understanding…
Natural interfaces in ferroic oxides have developed into versatile playgrounds for studying electronic correlation effects in 2D systems. The microscopic origin of the emergent local electronic properties is often debated, however, as…
We report the understanding of the electronic band structure of $Cs_4CuSb_2Cl_{12}$ perovskite through first-principles density-functional theory calculations. We find that the most stable state has the antiferromagnetic configuration where…
Epitaxial strain plays an important role in determining physical properties of perovskite ferroelectric oxide thin films. However, it is very challenging to directly measure properties such as polarization in ultrathin strained films using…
Magnetic spin topological textures recently found their electrical counterparts in polar topologies emerging from the condensation of inhomogeneous polar atomic distortions. Here, we further extend the concept to other non-polar atomic…
Synthetic antiferromagnets with strong perpendicular anisotropy can be modeled by layered Ising antiferromagnets. Accounting for the fact that in the experimental systems the ferromagnetic layers, coupled antiferromagnetically via spacers,…
The structure of 180-degree uncharged rotational domain wall in a multiaxial ferroelectric film is studied within the framework of analytical Landau-Ginzburg-Devonshire (LGD) approach. The Finite Element Modelling (FEM) is used to solve…
Quasicrystals possess long-range order but lack the translational symmetry of crystalline solids. In solid state physics, periodicity is one of the fundamental properties that prescribes the electronic band structure in crystals. In the…
Peridynamics provides a versatile tool for fracture modelling in materials where fracture pathways cannot be predicted beforehand, but must be envisaged as an emergent features of the deformation process. One class of materials where this…
We study photonic band gap formation in two-dimensional high refractive index disordered materials where the dielectric structure is derived from packing disks in real and reciprocal space. Numerical calculations of the photonic density of…
The crystal structure determines many of the physical properties of oxide perovskites (ABO$_3$) and only a tiny modification of the lattice structure causes major changes in the functional properties through the interplay among spin,…
The functionality of magnetoelectric multiferroics depends on the formation, size, and coupling of their magnetic and electric domains. Knowing the parameters guiding these criteria is a key effort in the emerging field of magnetoelectric…
Recently, the perovskite BiCoO$_3$ has been shown experimentally to be isostructural with PbTiO$_3$, while simultaneously the $d^6$ Co$^{3+}$ ion has a high spin ground state with $C$-type antiferromagnetic ordering. Using hybrid density…
The crystal structure of the MAPbI$_3$ hybrid perovskite forms an intricate electrostatic puzzle with different ordering patterns of the MA molecules at elevated temperatures. For this perovskite three published model Hamiltonians based on…
We present the results of an investigation of both the magnetic and structural phase transitions in a high quality single crystalline sample of the undoped, iron pnictide compound BaFe$_2$As$_2$. Both phase transitions are characterized via…
The formation and dynamics of a wide variety of binary two-dimensional ordered structures and superlattices are investigated through a phase field crystal model with sublattice ordering. Various types of binary ordered phases, the phase…
We study the multiferroic properties in the distorted tetrahedral quasi-one dimensional spin system Cu$_3$Mo$_2$O$_9$, in which the effects of the low dimensionality and the magnetic frustration are expected to appear simultaneously. We…
There is great interest in hybrid organic-inorganic materials such as metal-organic frameworks (MOFs). The compounds [C(NH$_{2}$)$_{3}$]M(HCOO)$_{3}$, where M=Cu$^{2+}$ or Cr$^{2+}$ are Jahn-Teller (JT) active ions, are MOF with perovskite…