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The superconducting state of the newly discovered superconductor K$_2$Cr$_3$As$_3$ with a quasi-one-dimensional crystal structure ($T_{\bf c}\sim$ 6 K) has been investigated by using magnetization and muon-spin relaxation or rotation…
Modern advances in generating ultrabright electron beams have unlocked unprecedented experimental advances based on synchrotron radiation. Current challenges lie in improving the quality of electron sources with novel photocathode materials…
Electron clusters, X-rays and nanosecond radio-frequency pulses are produced by 100 mW continuous-wave laser illuminating ferroelectric crystal of LiNbO_3. A long-living stable electron droplet with the size of about 100 mcm has freely…
The exploration of electrides holds great promise for advancing both fundamental physics and chemistry, owing to their unique characteristics arising from loosely bound interstitial anionic electrons. Here we report a class of cross-chain…
Metal/oxide support perimeter sites are known to provide unique properties because the nearby metal changes the local environment on the support surface. In particular, the electron scavenger effect reduces the energy necessary for surface…
The discovery of superconductivity under high pressure with $T_c$ exceeding 80 K in a bilayer nickelate La$_3$Ni$_2$O$_7$ has led to a strong desire to realize similar high $T_c$ phenomena at ambient pressure. As one possible path toward…
Wigner crystallization of free electrons at room temperature is explored for a new class of metallic ultrathin (transdimensional) materials whose properties can be controlled by their thickness. Our calculations of the critical electron…
Single-crystal diamond substrates presenting a high concentration of negatively charged nitrogen-vacancy centers (NV-) are on high demand for the development of optically pumped solid-state sensors such as magnetometers, thermometers or…
We propose a design scheme for potential electrides derived from conventional materials. Starting with rare-earth-based ternary halides, we exclude halogens and perform global structure optimization to obtain thermodynamically stable or…
Recent discoveries of topological phases realized in electronic states in solids have revealed an important role of topology, which ubiquitously appears in various materials in nature. Many well-known materials have turned out to be…
We demonstrate in this paper that the recently discovered infinite-layer (IL) nickelates have much in common with a class of materials known as electrides. Oxide based electrides are compounds in which topotactic removal of loosely bound…
Two-dimensional (2D) materials combined with the presence of surface nearly-free electrons (NFE) have been considered quite interesting platforms to be exploited for the development of 2D electronic devices. Further incorporation of foreign…
The electronic structure, Fermi surface and elastic properties of the iso-structural and iso-electronic LaSn$_3$ and YSn$_3$ intermetallic compounds are studied under pressure within the framework of density functional theory including…
Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the…
This study provides accurate results for the electronic stopping cross-sections of H, He, N, and Ne in silicon in low to intermediate energy ranges using various non-perturbative theoretical methods, including real-time time-dependent…
The newly discovered 2D magnetic materials provide new opportunities for basic physics and device applications. However, their low Curie temperature (TC) is a common weakness. In this paper, by combining magnetic Hamiltonian, Wannier…
New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…
Chromium tri-halides Cr$X_3$ ($X$ = Cl, Br, and I) have recently become a focal point of research due to their intriguing low-temperature,layer-dependent magnetism that can be manipulated by an electric field. This makes them essential…
Is it possible to design a supramolecular cage that would "solvate" the excess electron in the same fashion in which several solvent molecules do that co-operatively in polar liquids? Two general strategies are outlined for "electron…
We present the first ab initio density functional theory study of the oxygen-terminated Cr2O3 (0001) surface within the local spin-density approximation (LSDA). We find that spin plays a critical role for even the most basic properties of…