相关论文: Gigantic work function in layered AgF2

We use first-principles density functional theory to investigate how lithium sulfide and polysulfide clusters (Li2S, Li2S2, Li2S4, Li2S6, Li2S8, and S8) bind to Goldene, a new two-dimensional gold allotrope. All Li-S species exhibit robust…

A new hight Tc Fe-based compound system, AFe2As2 with A = K, Cs, K/Sr and Cs/Sr has been found. Through electron-doping, Tc of the A = K and Cs compounds rises to ~37 K, and finally enter a spin-density-wave state (SDW) through further…

We predict that the square lattice layer formed by [Co$_2$N$_2$]$^{2-}$ diamond-like units can host high temperature superconductivity. The layer appears in the stable ternary cobalt nitride, BaCo$_2$N$_2$. The electronic physics of the…

Since the discovery of superconductivity in MgB2 considerable progress has been made in determining the physical properties of the material, which are promising for bulk conductors. Tunneling studies show that the material is reasonably…

Exploration of new dielectrics with large capacitive coupling is an essential topic in modern electronics when conventional dielectrics suffer from the leakage issue near breakdown limit. To address this looming challenge, we demonstrate…

We report on total-energy electronic structure calculations in the density-functional theory performed for the ultra-thin atomic layers of Si on Ag(111) surfaces. We find several distinct stable silicene structures:…

Luminescent multifunctional nanomaterials are important because of their potential impact on the development of key technologies such as smart luminescent sensors and solid-state lightings. To be technologically viable, the luminescent…

As per de Gennes predictions, a superconducting layer placed between two ferromagnetic insulators can drive an antiferromagnetic exchange coupling between them. Using two ferromagneticinsulating GdN layers having dissimilar switching fields…

In this letter, we report the discovery of superconductivity in Li3Ca2C6. Several graphite intercalation compounds (GICs) with electron donors, are well known as superconductors. It is probably not astonishing, since it is generally…

Within first-principles calculations, we explore superconductivity in Ca-intercalated bilayer silicene compound, Si2CaSi2. This arises from the coupling of interlayer flower-like \Gamma-centered Fermi surface formed by the hybridization of…

When two or more atoms bind to a solid surface, the substrate can mediate an interaction between them. In this paper, we use density-functional theory to quantify the substrate-mediated pair interaction between two adatoms on a…

Prompted by the recent report on the evidence for superconductivity at ambient temperature and pressure in nanostructures of silver particles embedded into a gold matrix [arXiv:1807.08572], we have exploited first principles materials…

MoS$_2$, a member of transition metal dichalcogenides (TMDs), recently emerged as one of the fastest growing two-dimensional materials due to its fascinating mechanical, thermal, electronic and optical properties. Unlike graphene which…

We report how the electron transport through a solid-state metal/Gly-Gly-His tripeptide (GGH) monolayer/metal junction and the metal/GGH work function are modified by the GGH complexation with Cu2+ ions. Conducting AFM is used to measure…

The effective work-function of metal electrode is one of the major factors to determine the threshold voltage of metal/oxide/semiconductor junction. In this work, we demonstrate experimentally that the effective work-function of Aluminum…

Two-dimensional (2D) semiconductors are widely recognized as attractive channel materials for low-power electronics. However, an unresolved challenge is the integration of high-quality, ultrathin high-\k{appa} dielectrics that fully meet…

We report on the structural, electronic and magnetic properties of a monolayer of GdAg2, forming a moir\'e pattern on Ag(111). Combining scanning tunneling microscopy and ab-initio spin-polarized calculations, we show that the electronic…

The exponentially growing number of interconnected devices in the Internet of Things poses an increasing amount of challenges to the field of cyber security and encryption. For authenticated use and communication, each device must securely…

It has been argued that the very high transition temperatures of the highest Tc cuprate superconductors are facilitated by enhanced CuO2 plane coupling through the (Bi,Tl,Hg)-O intermediary layers. Whether enhanced coupling through…

Recently, a honeycomb borophene was reported to grow successfully on Al(111) surface. Since the metallic $\sigma$-bonding bands of honeycomb boron sheet play a crucial role in the 39 K superconductivity of MgB$_2$, it is physically…