相关论文: Stabilizing polar phases in binary metal oxides by…
In this work we established the relationship between the crystalline structure symmetry, point defects and possible appearance of the ferroelectric-like polarization in HfO2-y nanoparticles. Notably, that XRD and EPR analysis revealed the…
Hafnia-based ferroelectrics hold promise for nonvolatile ferroelectric memory devices. However, the high coercive field required for polarization switching remains a prime obstacle to their practical applications. A notable reduction in…
We study the effects of hole doping on the two-dimensional Heisenberg-Kondo model around the quantum critical point, where the spin liquid phase (Kondo insulator) and the magnetically ordered phase are separated via a second-order phase…
In contrast to hafnia (HfO2) thin films, where the appearance of switchable ferroelectric polarization can be induced by strain or defect engineering, reliable methods for controlling ferroelectricity are absent in HfO2 nanoparticles.…
Acceptor-bound holes in oxides often localize asymmetrically at one out of several equivalent oxygen ligands. Whereas Hartree-Fock (HF) theory overly favors such symmetry-broken polaronic hole-localization in oxides, standard local density…
Magnetism in transition-metal systems emerges from exchange interactions that depend sensitively on carrier density. Yet leveraging this sensitivity to deliberately engineer exchange frustration and associated topological spin textures…
Atomic-scale understanding of HfO2 ferroelectricity is important to help address many challenges in developing reliable and high-performance ferroelectric HfO2 (fe-HfO2) based devices. Though investigated from different angles, a factor…
Rate theory and DFT calculations of hydrogen evolution reaction (HER) on MoS2 with Co, Ni and Pt impurities show the significance of dihydrogen (H2*) complex where both hydrogen atoms are interacting with the surface. Stabilization of such…
In ABO3 perovskites, oxygen octahedron rotations are common structural distortions that can promote large ferroelectricity in BiFeO3 with an R3c structure [1], but suppress ferroelectricity in CaTiO3 with a Pbnm symmetry [2]. For many…
As a typical hole-doped cuprate superconductor, Bi 2 Sr 2 CaCu 2 O 8+{\delta} (Bi2212) carrier doping is mostly determined by its oxygen content. Traditional doping methods can regulate its doping level within the range of hole doping. Here…
In this work, we propose a class of ferroelectrics (which we denote "double-path" ferroelectrics), characterized by two competing polarization switching paths for which the change in polarization is different and in fact of opposite sign.…
The transmission electron microscopy observations of the charge ordering (CO) which governs the electronic polarization in LuFe2O4-x clearly show the presence of a remarkable phase separation at low temperatures. Two CO ground states are…
Single charge control of localized excitons (LXs) in two-dimensional transition metal dichalcogenides (TMDCs) is crucial for potential applications in quantum information processing and storage. However, traditional electrostatic doping…
We find, through first-principles calculations, that hole doping induces a ferromagnetic phase transition in monolayer GaSe. Upon increasing hole density, the average spin magnetic moment per carrier increases and reaches a plateau near 1.0…
We investigate how doping-induced small polarons impact the low-temperature multipolar orders of the $5d^2$ double perovskite Ba$_2$CaOsO$_6$. By computing intersite exchange interactions between 5d$^1$ localized hole polarons and 5d$^2$…
Fe-K$_{\beta}$ X-ray emission spectroscopy measurements reveal an asymmetric doping dependence of the magnetic moments $\mu_\text{bare}$ in electron- and hole-doped BaFe$_{2}$As$_{2}$. At low temperature, $\mu_\text{bare}$ is nearly…
We investigate a large variation in a diagonal component of the linear magnetoelectric (ME) susceptibility in a polar ferrimagnet Mn2Mo3O8 while changing the magnetic-ion site from orbital-quenched Mn2+ to Fe2+ with strong uniaxial…
High thermoelectric performance in oxides requires stable conductive materials that have suitable band structures. Here we show based on an analysis of the thermopower and related properties using first-principles calculations and Boltzmann…
Interfacial polarization-charge accumulation at the heterointerface-is a well-established tool in semiconductors, but its influence in metals remains unexplored. Here, we demonstrate that interfacial polarization can robustly modulate…
In a ferroelectric field effect transistor (FeFET), it is generally assumed that the ferroelectric gate plays a purely electrostatic role. Recently it has been shown that in some cases, which could be called 'active FeFETs', electronic…