Related papers: Robust diamond-like Fe-Si network in the zero-stra…
Layered transition metal dichalcogenides (TMDs) are attracting increasing attention because they exhibit unconventional magnetic properties due to crystal imperfections in their usually non-magnetic 2D structure. This work aims to…
A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…
Studies of different experimental groups that explore the properties of a two-dimensional electron gas in silicon semiconductor systems ((100) Si metal-oxide-semiconductor field-effect transistors (MOSFETs) and (100) SiGe/Si/SiGe quantum…
Capacitive Deionization (CDI) is a non-energy intensive water treatment technology. To harness the enormous potential of CDI requires improving performance, while offering industrially feasible solutions. Following this idea, the…
We report the electrochemical sodium-ion kiinetics and distribution of relaxation time (DRT) analysis of a newly designed mixed polyanionic NaFe$_{1.6}$V$_{0.4}$(PO$_{4}$)(SO$_{4}$)$_{2}$@CNT composite as a cathode. The specific capacity of…
While 2D materials have enormous potential for future device technologies, many challenges must be overcome before they can be deployed at an industrial scale. One of these challenges is identifying the right semiconductor/insulator…
Given the rarity of metallic systems that exhibit ferroelectric-like transitions, it is apparently challenging to find a system that simultaneously possesses superconductivity and ferroelectric-like structural instability. Here, we report…
The nanoelectronic applications of current ferroelectrics have been greatly impeded by their incompatibility with silicon. In this paper we propose a way to induce ferroelectricity in silicon dioxide (SiO2), which is still the most widely…
Unlike the ferropnictide superconductors, which crystallize in a tetragonal crystal structure, binary FeAs forms in an orthorhombic crystal structure, where the local atomic environment resembles a highly distorted variant of the FeAs4…
We elucidate the electronic structure and quantum many-body instabilities of the monolayer nickelate La2NiO4 under hydrostatic pressure using a combination of density functional theory, dynamical mean-field theory (DFT+DMFT), and random…
Electronic band structure and energetic stability of two types of and oriented silicon nanowires in beta-Sn phase with the surface terminated by hydrogen atoms were studied using density functional theory. It was found that beta-Sn…
The electronic structure and physical properties of the pnictide compound families $RE$OFeAs ($RE$ = La, Ce, Pr, Nd, Sm), $A$Fe$_{2}$As$_{2}$ ($A$ = Ca, Sr, Ba, Eu), LiFeAs and FeSe are quite similar. Here, we focus on the members of the…
Here we report the first investigation on correlation between the transport properties and the corresponding stability of the lattice structure for CaK(Fe1-xNix)4As4 (x=0.04 and 0), a new type of putative topological superconductors, with…
We present the results of paramagnetic LDA band structure calculations: band dispersions, densities of states and Fermi surfaces, for the new iron based high-temperature superconductor LiOHFeSe. Main structural motif providing bands in the…
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFe$_{2}$O$_{4}$, Fe$_{3}$O$_{4}$, CoFe$_{2}$O$_{4}$, and…
Wigner crystals are typically confined to ultralow temperatures where thermal motion is frozen out. Moir\'e superlattices in twisted two-dimensional materials have extended their stability to higher temperatures and densities, but rely on…
The simplified bandstructure introduced by Mazurenko et al to model FeSi is used to analyze the singlet semiconductor to ferromagnetic metal transition in the isoelectronic isostructural alloys, FeSi$_{1-x}$Ge$_x$. The complex bandstructure…
Developing sustainable battery electrode manufacturing methods is particularly pressing for alloying-type active materials, such as silicon, which often require additional energy-intensive and solvent-based processing to reinforce them with…
We present measurements of the optical spectra on single crystals of spinel-type compound \cis. This material undergoes a sharp metal-insulator transition at 230 K. Upon entering the insulating state, the optical conductivity shows an…
A new oxide, sodium iron antimonate, Na2FeSbO5, was synthesized and structurally characterized, and its static and dynamic magnetic properties were comprehensively studied both experimentally by dc and ac magnetic susceptibility,…