Related papers: Hexagonal Perovskites as Quantum Materials
Entropic contributions to the stability of solids are very well understood and the mixing entropy has been used for forming various solids, for instance such as inverse spinels. A particular development was related to high entropy alloys in…
Halide perovskites, with prototype cubic phase ABX3, undergo various phase transitions accompanied by rigid rotations of corner-sharing BX6 octahedra. Using first-principles density functional theory calculations, we have performed a…
Corner-shared ABX$_3$ perovskites have long featured prominently in solid-state chemistry and condensed matter physics. Still, the joint understanding of their two main subgroups-halides and oxides-has not been fully developed. Indeed,…
Perovskites with the generic composition ABO$_3$ exhibit an enormous variety of quantum states such as magnetism, orbital order, ferroelectricity and superconductivity. Their flexible and comparatively simple structure allows for facile…
Perovskites have been the focus of attention due to their multitude of outstanding optoelectronic properties and structural versatility. Two-dimensional halide perovskite such as (C_6H_5C_2H_4NH_3)_2PbI_4, or simply PEPI, forms natural…
Unexpected, yet useful functionalities emerge when two or more materials merge coherently. Artificial oxide superlattices realize atomic and crystal structures that are not available in nature, thus providing controllable correlated quantum…
Quasicrystals remain among the most intriguing materials in physics and chemistry. Their structure results in many unusual properties including anomalously low friction as well as poor electrical and thermal conductivity but it also…
Correlated electron systems on a honeycomb lattice have emerged as a fertile playground to explore exotic electronic phenomena. Theoretical and experimental work has appeared to realize novel behavior, including quantum Hall effects and…
In previous approaches to form quasicrystals, multiple competing length scales involved in particle size, shape or interaction potential are believed to be necessary. It is unexpected that quasicrystals can be self-assembled by…
Multiferroic materials have received an astonishing attention in the last decades due to expectations that potential coupling between distinct ferroic orders could inspire new applications and new device concepts. As a result, a new…
Quantum magnets with significant bond-directional Ising interactions, so-called Kitaev materials, have attracted tremendous attention recently in the search for exotic spin liquid states. Here we present a comprehensive set of measurements…
Controlling grain orientations within polycrystalline all-inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits, however the forces governing texture formation are ambiguous.…
Fluorescent spin qubits are central building blocks of quantum technologies. Placing these qubits at surfaces maximizes coupling to nearby spins and fields, enabling nanoscale sensing and facilitating integration with photonic and…
The crystal structure of KAgF3 was studied by powder neutron diffraction. KAgF3 exhibits at all temperatures an orthorhombic symmetry in space group Pnma that allows for several distortions with respect to the ideal cubic perovskite…
The conditions for forming quasicrystals and their approximants are stringent, normally requiring multiple length scales to stabilize the quasicrystalline order. Here we report an unexpected finding that the approximants and motifs of…
To tune the magnetic properties of hexagonal ferrites, a family of magnetoelectric multiferroic materials, by atomic-scale structural engineering, we studied the effect of structural distortion on the magnetic ordering temperature (TN).…
Despite several decades of active experimental and theoretical studies of rare-earth orthoferrites, the mechanism of the formation of specific magnetic, magnetoelastic, optical, and magneto-optical properties remains a subject of…
Taking into account Goodenough's superexchange rules, including both full structural relaxation and spin-orbit coupling, and checking strong correlation effects, we look for compensated half metals within the class of oxide double…
Several organic cations have been used to passivate perovskite films; however, selecting the optimal cation remains challenging. In this work, we carried out density functional theory calculations to understand the effects induced by 17…
The laws of quantum mechanics are often tested against the behaviour of the lightest element in the periodic table, hydrogen. One of the most striking properties of molecular hydrogen is the coupling between molecular rotational properties…