Related papers: Hexagonal $ABC$ as semiconducting ferroelectrics
Electric polarization typically originates from non-centrosymmetric charge distributions in compounds. In elemental crystalline materials, chemical bonds between atoms of the same element favor symmetrically distributed electron charges and…
Structural features of ferroic domains are fundamentally important for the understanding of microstructure and physical properties of ferroic materials, and they are also of technological significance for information storage and electronic…
The presence of ferroelectricity in hexagonal (h-)InMnO3 has been highly under debate. The results of our comprehensive experiments of low-temperature (T) polarization, TEM and HAADF-STEM on well-controlled h-InMnO3 reveal that the ground…
Emerging ferroic materials may pave a new way to next-generation nanoelectronic and spintronic devices due to their interesting physical properties. Here, we systematically review unconventional ferroelectric systems, from Hf-based and…
We study theoretically the fluoro-nickelate series $A$NiF$_2$ ($A=$ Li, Na, K, Rb, Cs) in the tetragonal $P4/mmm$ infinite-layer structure. We use density functional theory to determine the structural parameters and the electronic band…
The possibility to combine and finetune properties of functional molecular materials by chemical design is particularly relevant for organic ferroelectrics. In this work, we investigate a class of organic molecular materials that show…
Domain structures play a crucial role in the electric, mechanical and other properties of ferroelectric materials. In this study, we uncover the physical origins of the enigmatic zigzag domain structure in the prototypical multiferroic…
A method for measuring the degree of spin polarization of magnetic materials based on spin-dependent resonant tunneling is proposed. The device we consider is a ballistic double-barrier resonant structure consisting of a ferromagnetic layer…
The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…
Relaxor ferroelectrics, which can exhibit exceptional electromechanical coupling are some of the most important functional materials with applications ranging from ultrasound imaging to actuators and sensors in microelectromechanical…
Couplings between ferroelectric and magnetic orders offer promising routes toward low-dissipation electronics. However, such couplings are notably rare, largely due to the poor compatibility between insulating band structures and…
Ferroelectricity can exist in elemental phases as a result of charge transfers between atoms occupying inequivalent Wyckoff positions. We investigate the emergence of ferroelectricity in two-dimensional elemental materials with buckled…
The inherent trade-off between ultra-low thermal conductivity and high mechanical rigidity in natural materials limits their utility in advanced applications. Inspired by the unique architecture of layered honeycomb structures, this study…
Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…
Introducing structural and/or chemical heterogeneity into otherwise ordered crystals can dramatically alter material properties. Lead-based relaxor ferroelectrics are a prototypical example, with decades of investigation having connected…
Li et al. (Science Advances, 29 January, p. eabe3068) claim the discovery of two improper ferroelectrics, dabcoHClO4 and dabcoHBF4 (dabco = 1,4-diazabicyclo[2.2.2]octane), and that these materials exhibit superior pyroelectric figures of…
Heavily doped semiconductors are by far the most studied class of materials for thermoelectric applications in the past several decades. They have Seebeck coefficient values which are 2-3 orders of magnitude higher than metals, making them…
Ferroelectric nematic (NF) liquid crystals combine liquid-like fluidity and orientational order of conventional nematics with macroscopic electric polarization comparable in magnitude to solid state ferroelectric materials. Here, we present…
The recently discovered ferroelectric nematic liquids incorporate to the functional combination of fluidity, processability and anisotropic optical properties of nematic liquids, an astonishing range of physical properties derived from the…
The electronic structures of BaAlGe and SrAlGe which are superconductors with hexagonal honeycomb layers have been studied by using a first principles method. Energy bands, Fermi surafces, and density of states are presented. The two…