相关论文: Mixed valency and site-preference chemistry for Ce…
We have measured the magnetic properties of a mixed valency iron phosphate. It presents an original structure with crossed chains containing Fe II and orthogonal to the longest direction of the crystallites. Microstructural investigations…
By performing density functional calculations, we find a giant magnetocrystalline anisotropy (MCA) constant in abundant element cerium (Ce) substituted M-type hexaferrite, in the energetically favorable strontium site, assisted by a quantum…
The electronic structures of element cerium under high pressure remain unclear all the time. We tried to calculate the electronic structures of $\alpha'$, $\alpha"$, and $\epsilon$-Ce which only exist in the presence of pressure, by using…
In the pressure range 5-12 GPa the fractional valence of cerium is independent of pressure because of the coexistence of two or more structural phases. The observation of a single crystallographic structure in this pressure range arises…
A systematic analysis of thermodynamic properties performed on Ce-base exemplary compounds allows to identify different types of behaviors as the system approaches the quantum critical region. They are recognized in the respective magnetic…
At ambient temperatures, CeRuSn exhibits an extraordinary structure with a coexistence of two types of Ce ions in a metallic environment, namely trivalent Ce3+ and intermediate valent Ce(4-x)+. Charge ordering produces a doubling of the…
The nature of the elemental cerium phases, undergoing an isostructural volume collapse transition, cannot be understood using conventional solid state concepts. Using the combination of density functional theory and dynamical mean-field…
On the basis of the Ward-Pitaevskii identity, the residual resistivity $\rho_{0}$ is shown to exhibit huge enhancement around the quantum critical point of valence transition in Ce-based heavy electron systems. This explains a sharp peak of…
We present a density-functional theory (DFT) study of the structural, electronic, and chemical bonding behaviour in germanium (Ge)-doped vanadium dioxide (VO$_2$). Our motivation is to explain the reported increase of the metal-insulator…
Tricationic protactinium monofluoride ($^{229}$PaF$^{3+}$) has been proposed as a candidate for probing physics beyond the Standard Model of particle physics. Since studies with $^{229}$PaF$^{3+}$ require significant experimental advances,…
Cerium hydride has a variety of interesting properties, including a known lattice contraction and densification with increasing hydrogen content. However, precise stoichiometric control is not experimentally straightforward and {\it ab…
Recently, the hydrogen adsorption and diffusion on the CeO2 (111) surface have been a vividly discussed topic because of its outstanding catalytic activity and selectivity in hydrogenation reactions. However, for the strongly reduced CeO2…
The roles of critical valence fluctuations of Ce and Yb are discussed as a key origin of several anomalies observed in Ce- and Yb-based heavy fermion systems. Recent development of the theory has revealed that a magnetic field is an…
Rare-earth doped form, ceria (CeO2) is of interest as a potential candidate for solid oxide fuel cells (SOFCs) because of its relatively high oxygen ion conductivity at temperatures below 600 {\deg}C. At the present time, computational…
CeRuSn exhibits an extraordinary room temperature structure at 300~K with coexistence of two types of Ce ions, namely trivalent Ce$^{3+}$ and intermediate valent Ce$^{(4-\delta)+}$, in a metallic environment. The ordered arrangement of…
Influence of quantum critical point (QCP) of first-order valence transition (FOVT) on Ce- and Yb-based heavy fermions is discussed as a key origin of anomalies such as non-Fermi liquid, metamagnetism, and unconventional superconductivity.…
Enhanced visible light photocatalytic activity of transition metal-doped ceria (CeO2) nanomaterials have experimentally been demonstrated, whereas there are very few reports mentioning the mechanism of this behavior. Here we use…
Lanthanum and yttrium compounds with composition RE2M2O7 (RE=Y, La; M = Ti, Zr, Hf) have high density and high Z and can be doped with Ce onto the La and Y sites. This makes these compounds good candidates for Ce activated scintillator…
Luminescence in Ce doped materials corresponds to a transition from an excited state where the lowest Ce 5d level is filled to the ground state where a single 4f level is filled. We have performed theoretical calculations based on Density…
In ceria-based catalysis, the shape of the catalyst particle, which determines the exposed crystal facets, profoundly affects its reactivity. The vibrational frequency of adsorbed carbon monoxide (CO) can be used as a sensitive probe to…