Related papers: Flexoelectricity in Amorphous Hafnium Oxide (HfO2)
The persistence of ferroelectricity in ultrathin HfO$_2$ films challenges conventional theories, particularly given the paradoxical observation that the out-of-plane lattice spacing increases as the film thickness decreases, a reverse size…
The recent discovery of ferroelectric nematic liquid crystalline phases marks a major breakthrough in soft matter research. An intermediate phase, often observed between the nonpolar and the ferroelectric nematic phase, shows a distinct…
The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…
Advancements in modern semiconductor devices increasingly depend on the utilization of amorphous materials and the reduction of material thickness, pushing the boundaries of their physical capabilities. The mechanical properties of these…
We study the structural and electronic properties of various hafnium sub-oxides HfzO from z = 9 to z = 0.5, by ab initio simulation using Density Functional Theory. The stability of these sub-oxides is studied against monoclinic HfO2. The…
The elastic, thermodynamic, and electronic properties of fluorite RuO_2 under high pressure are investigated by plane-wave pseudopotential density functional theory. The optimized lattice parameters, elastic constants, bulk modulus, and…
The r\^{o}le of the magnetoelectric effect upon optical reflectivity is studied by adapting an electrodynamic-based model for a system composed by a 2D metallic film in contact with an extended multiferroic material exhibiting weak…
Zirconia (ZrO2) and hafnia (HfO2) are leading candidates for replacing SiO2 as the gate insulator in CMOS technology. Amorphous versions of these materials (a-ZrO2 and a-HfO2)) can be grown as metastable phases on top of a silicon buffer;…
Coupling between electrical and mechanical phenomena is a near-universal characteristic of inorganic and biological systems alike, with examples ranging from ferroelectric perovskites to electromotor proteins in cellular membranes.…
Using the \emph{ab initio} evolutionary algorithm (implemented in USPEX) and electronic structure calculations we investigate the properties of a new thermoelectric material FeSbAs, which is a material analog of the enigmatic thermoelectric…
The discovery of ferroelectric HfO2 in thin films and more recently in bulk is an important breakthrough because of its silicon-compatibility and unexpectedly persistent polarization at low dimensions, but the origin of its ferroelectricity…
Phonons play a key role in the physical properties of materials, and have long been a topic of study in physics. While the effects of phonons had historically been considered to be a hindrance, modern research has shown that phonons can be…
Nanostructuring materials at small scales enables control over their physical properties, revealing behaviors not observed at larger dimensions. This strategy is particularly effective in two-dimensional (2D) materials, where surface…
Thin films of aluminum hafnium nitride (Al$_{1-x}$Hf$_{x}$N) were synthesized via reactive magnetron sputtering for Hf contents up to $x$ = 0.13. X-ray diffraction showed a single $c$-axis oriented wurtzite phase for all films. Hard X-ray…
We reveal a colossal dielectric response of small (5 - 10 nm) oxygen-deficient HfxZr1-xO2 nanoparticles (x = 1 - 0.4), prepared by the solid-state organonitrate synthesis. The effective dielectric permittivity of the pressed HfxZr1-xO2…
Multifunctionality as a paradigm requires materials exhibiting multiple superior properties. Integrating second-order optical nonlinearity and large bandgap with piezoelectricity could, for example, enable broadband, strain-tunable…
Crystalline structures, zone-center phonon modes, and the related dielectric response of the three low-pressure phases of HfO2 have been investigated in density-functional theory using ultrasoft pseudopotentials and a plane-wave basis. The…
Flexocoupling impact on the size effects of the spontaneous polarization, effective piezo-response, elastic strain and compliance, carrier concentration and piezo-conductance have been calculated in thin films of ferroelectric…
Two-dimensional and layered materials, such as graphene, have emerged in recent years for their potential use in several applications in technology, for example in electronics, bioelectronics, optoelectronics and related fields.…
Binary oxide ferroelectrics like doped HfO2, compatible with complementary metal-oxide-semiconductor (CMOS) platforms, have gained significant interest for energy efficient, scalable, high-performance non-volatile memory and neuromorphic…