Related papers: Interplay of chemical pressure and hydrogen insert…
We present a systematic investigation of the effect of H, B, C, and N interstitials on the electronic, lattice and magnetic properties of La(Fe,Si)$_{13}$ using density functional theory. The parent LaSiFe$_{12}$ alloy has a shallow,…
Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model. The intramolecular structure of the H$_2$O molecule is well reproduced by…
High pressure can provoke spin transitions in transition metal-bearing compounds. These transitions are of high interest not only for fundamental physics and chemistry, but also may have important implications for geochemistry and…
XY and Heisenberg spins, subjected to strong random fields acting at few points in space with concentration $c_r \ll 1$, are studied numerically on 3d lattices containing over four million sites. Glassy behavior with strong dependence on…
Using first-principles variable-composition evolutionary methodology, we explored the high-pressure structures of beryllium hydrides between 0 and 400 GPa. We found that BeH$_2$ remains the only stable compound in this pressure range. The…
Temperature dependence of magnetization curves of well homogenized samples of Ce(Co$_{1-x}$Cu$_{x}$)$_5$ ($0\le x \le 0.7$), a family of representative $4f$-$3d$ intermetallic magnets found in rare-earth permanent magnets, is measured. A…
The spintronic properties of a palladium thin film have been investigated in the presence of hydrogen gas in cobalt/palladium bilayers. Measurements of the inverse spin Hall Effect (ISHE) using cavity ferromagnetic resonance allow…
The drastic changes of Fermi surfaces as well as transport anomalies near P=Pc~2.35 GPa in CeRhIn5 are explained theoretically from the viewpoint of sharp valence change of Ce. It is pointed out that the key mechanism is the interplay of…
Understand the nature of liquid structure and its evolution under different conditions is a major challenge in condensed physics and materials science. Here, we report a pressure-induced structure change spanning a wide pressure range in…
The intrinsic spin and valley Hall conductivities of silicene, germanene and other similar two dimensional crystals are explored theoretically. Particular attention is given to the effects of the intrinsic spin-orbit coupling, electron…
The topological protected electronic states on the surface of a topological insulator can progressively change their Fermi cross-section from circular to a snowflake shape as the chemical potential is increased above the Dirac point because…
Quantum triangular-lattice antiferromagnets are important prototype systems to investigate phenomena of the geometrical frustration in condensed matter. Apart from highly unusual magnetic properties, they possess a rich phase diagram…
Results of the experimental study of ordering lanthanum hydrides of LaHX system are presented. It is shown that obtained results can be interpreted as an indirect confirmation of the existence of order-order transformations in LaH2+c…
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…
CeO$_2$ (ceria) is an attractive material for heterogeneous catalysis applications involving hydrogen due to its favorable redox activity combined with its relative impermeability to hydrogen ions and molecules. However, to date, many bulk…
Optical conductivity [$\sigma(\omega)$] of CeRhIn$_5$ and YbNi$_3$Ga$_9$ have been measured at external pressures to 10 GPa and at low temperatures to 6 K. Regarding CeRhIn$_5$, at ambient pressure the main feature in $\sigma(\omega)$ is a…
We reanalyze the condition for metallic ferromagnetism in the framework of the tight-binding approximation and investigate the consequences of the inter-site Coulomb interactions using the Hartree-Fock approximation. We first consider a…
Heterostructures consisting of a cuprate superconductor YBa2Cu3O7x and a ruthenate/manganite (SrRuO3/La0.7Sr0.3MnO3) spin valve have been studied by SQUID magnetometry, ferromagnetic resonances and neutron reflectometry. It was shown that…
The spin- and charge-density-wave order parameters of the itinerant antiferromagnet chromium are measured directly with non-resonant x-ray diffraction as the system is driven towards its quantum critical point with high pressure using a…
Applying pressure around megabar is indispensable in the synthesis of high-temperature superconducting hydrides, such as SH$_3$ and LaH$_{10}$. Stabilizing the high-pressure phase of hydride around ambient condition is a severe challenge.…