Related papers: Guidelines for the optimization of hafnia-based fe…
Over the last fifteen years, ferroelectric and antiferroelectric ultra thin films based on fluorite-structured materials have drawn significant attention for a wide variety of applications requiring high integration density.…
We have performed a first-principles study of the structural and vibrational properties of the three low-pressure (cubic, tetragonal, and especially monoclinic) phases of ZrO2, with special attention to the computation of the zone-center…
Spin-orbit entangled pseudospins hold promise for a wide array of exotic magnetism ranging from a Heisenberg antiferromagnet to a Kitaev spin liquid depending on the lattice and bonding geometry, but many of the host materials suffer from…
Remarkable exploitation of valence and lattice mismatch in epitaxial ferroelectric heterostructures generates physical effects not classically expected for perovskite oxides, such as 2D electron gas and polar skyrmions. However the…
We present a phenomenological model of periodic ferroelectric-superconductor (FE-S) heterostructures containing two alternating ferroelectric and superconducting layers. The interaction at the FE-S contacts is described as a coupling of the…
The half-metallic properties of a new and promising full-Heusler compound, Zr2CoSn, are investigated by means of ab initio calculations within the Density Functional Theory framework. The ferromagnetic ordered Hg2CuTi-type crystal structure…
Thin films of undoped zinc oxide (ZnO) and doped ZnO with copper were deposited on ceramic pellets made from abundant local clay materials with an addition of zirconia (ZrO2). The thin layers were prepared by a thermal method using an…
Two dimensional layered materials exhibit versatile electronic properties in their different phases. The intrinsic electronic properties of these materials can be modulated through doping or intercalation. In this study, we investigated the…
Ferroelectrics subject to suitable electric boundary conditions present a steady negative capacitance response. When the ferroelectric is in a heterostructure, this behavior yields a voltage amplification in the other elements, which…
HfO2-based ferroelectric films have attracted considerable attention as their nanoscale ferroelectricity and compatibility with cmos technology, fulfilling demands of emerging memory technologies. However, as films scale down,…
: We study the effect of hydrogen on the electronic, magnetic and hyperfine structures of an iron-vanadium superlattice consisting of three Fe monolayers and nine V monolayers. The contact charge density ({\rho}), the contact hyperfine…
We have investigated two-dimensional thermoelectric properties in transition metal oxide heterostructures. In particular, we adopted an unprecedented approach to direct tuning of the 2D carrier density using fractionally {\delta}-doped…
ZrTe$_2$ is an outstanding layered semimetal due to the topologically nontrivial electronic structure. In this work, we present an investigation of the electronic evolution of ZrTe$_2$ in the presence of Fe intercalation, namely…
We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional (2D) transition metal dichalcogenide (TMDC) WS2 based on the experimentally prepared WS2/WSe2 lateral superlattice (LS) crystal. On the…
The effect of layer-by-layer heterostructuring and epitaxial strain on lattice instabilities and related ferroelectric properties is investigated from first principles for the [001]-(PbTiO$_3$)$_1$(PbZrO$_3$)$_1$ superlattice and pure…
The properties of functional oxide heterostructures are strongly influenced by the physics governing their interfaces. Modern deposition techniques allow us to accurately engineer the interface physics through the growth of atomically…
Unconventional ferroelectricity, robust at reduced nanoscale sizes, exhibited by hafnia-based thin-films presents tremendous opportunities in nanoelectronics. However, the exact nature of polarization switching remains controversial. Here,…
Polar skyrmions are topologically stable, swirling polarization textures with particle-like characteristics, which hold promise for next-generation, nanoscale logic and memory. While understanding of how to create ordered polar skyrmion…
Two-dimensional van der Waals (2D vdW) materials that display ferromagnetism and piezoelectricity have received increased attention. Despite numerous 2D materials have so far been reported as ferromagnetic, developing an air stable and…
The coupling of ferroelectricity (FE) and superconductivity (SC) becomes the frontier of condensed matter research recently especially in the realm of two-dimensional (2D) materials. Identifying a general strategy to realize coexistence of…