相关论文: Structural and electronic changes of pentacene ind…

We have performed a comparative study of the electronic properties of six different electron-doped metal phthalocyanine (MPc) compounds (ZnPc, CuPc, NiPc, CoPc, FePc, and MnPc), in which the electron density is controlled by means of…

Here we demonstrate that significant progress in this area may be achieved by introducing structural elements that form hydrogen bonds with environment. Considering several examples of hybrid framework materials with different structural…

Co3Si was recently reported to exhibit remarkable magnetic properties in the nanoparticle form [Appl. Phys. Lett. 108, 152406 (2016)], yet better understanding of this material is to be promoted. Here we report a study on the crystal…

Electron-crystal and phonon-glass are regarded as two essential factors for ideal thermoelectric materials, which require both an enhanced electronic transport and a depressed phononic transport. These two characteristics usually can not…

Recent years have shown steady progress in research towards molecular electronics [1,2], where molecules have been investigated as switches [3-5], diodes [6], and electronic mixers [7]. In much of the previous work a Scanning Tunnelling…

6,13-dihydropentacene and pentacene co-crystallise in a ratio of 2:1 during vapour transport of commercial pentacene in a gas flow. The crystal structure is monoclinic P2_1/n and contains one dihydropentacene molecule, and half a pentacene…

The ubiquitous coexistence of majority insulating 245 phases and minority superconducting (SC) phases in AxFe2-ySe2 (A = K, Cs, Rb, Tl/Rb, Tl/K) formed by high-temperature routes makes pure SC phases highly desirable for studying the…

It has been suggested that hydrogen may metallise at lower pressures if it is ``precompressed''. Here we introduce a search strategy for predicting high-pressure structures and apply it to silane using first-principles electronic structure…

The properties of Pt-based materials can be intriguing due to the importance of spin-orbit coupling for Pt. Herein, we report four new phases with formulas M3Pt23Ge11 (M = Ca, Sr, Ba and Eu), which adopt the same structure type as…

The computational and experimental exploration of the phase diagrams of binary hydrides under high pressure has uncovered phases with novel stoichiometries and structures, some which are superconducting at quite high temperatures. Herein we…

We report on the Pt doping effect on surface and electronic structure in Ir$_{\mathrm{1-x}}$Pt$_{\mathrm{x}}$Te$_ {\mathrm{2}}$ by scanning tunneling microscopy (STM) and spectroscopy (STS). The surface prepared by cleavage at 4.2 K shows a…

KTaO3 has recently attracted attention as a model system to study the interplay of quantum paraelectricity, spin-orbit coupling, and superconductivity. However, the high and low vapor pressures of potassium and tantalum present processing…

The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications,…

The simultaneous presence of polarity and metallicity in a material signifies an exotic polar metal state, but such materials are extremely rare, especially in bulk form, due to mutually exclusive nature of the fundamental defining…

Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find…

The discovery of superconductivity at 200 K in the hydrogen sulfide system at large pressures [1] was a clear demonstration that hydrogen-rich materials can be high-temperature superconductors. The recent synthesis of LaH$_{10}$ with a…

We develop a theory of superconducting pairing in low-density Strontium titanate due to quadratic coupling of electron density to soft transverse optical phonons. It leads to static attractive potential between electrons which decay length…

In strongly correlated transition metal dichalcogenides, an intricate interplay of polaronic distortions, stacking arrangement, and electronic correlations determines the nature of the insulating state. Here, we study the response of the…

The enhanced superconductivity in monolayer FeSe on titanates opens a fascinating pathway towards the rational design of high-temperature superconductors. Utilizing the state-of-the-art oxide plus chalcogenide molecular beam epitaxy systems…

The bilayer Ruddlesden-Popper nickelate $\mathrm{La_3Ni_2O_7}$ has emerged as a promising platform for exploring and understanding high-temperature superconductivities. While most prior doping studies have focused on hole doping via…