相关论文: Enhanced carrier mobility in anisotropic 2D tetrah…

Two-dimensional (2D) carbon-based materials have attracted considerable interest due to their diverse structural and electronic properties, making them ideal for next-generation flat electronics. Among these materials, metallic-like porous…

Within the framework of the density functional theory, we calculate the electronic structure of $\alpha$-(BEDT-TTF)$_2$I$_3$ at 8K and room temperature at ambient pressure and with uniaxial strain along the $a$- and $b$-axes. We confirm the…

Spin textures are ubiquitous in antiferromagnets, yet their consequences for altermagnets remain largely unexplored. We show that smooth spatial variations of the N\'eel order act on itinerant electrons as emergent gauge fields, producing…

Superconductivity in the heavy-fermion metal UTe2 survives the application of very high magnetic fields, presenting both an intriguing puzzle and an experimental challenge. The strong, non-perturbative influence of the magnetic field…

Materials that exhibit strongly coupled magnetic order and electronic properties are crucial for both fundamental research and technological applications. However, finding a material that not only shows remarkable magnetoresistive responses…

First-principles calculations show that monatomic strings of carbon have high cohesive energy and axial strength, and exhibit stability even at high temperatures. Due to their flexibility and reactivity, carbon chains are suitable for…

The effective mass of charge carriers is a fundamental descriptor of the electronic structure of materials, and can be used to assess performance in electronics applications, or to screen for thermoelectrics and transparent conductors.…

Comparing resistivity data of quasi-one dimensional superconductors (TMTSF)_2PF_6 and (TMTSF)_2ClO_4 along the least conducting c*-axis and along the high conductivity a -axis as a function of temperature and pressure, a low temperature…

3D-printed digital materials whose mechanical behavior travels between those from thermoplastic to rubbery polymers have become increasingly important. However, their mechanical functionalities have not been fully exploited due to intrinsic…

We present anisotropic, zero applied magnetic field, temperature dependent resistivity measurements on hexagonal, non-magnetic, YPtIn and LuAgGe single crystals. For these materials the in-plane resistivity, $\rho_{ab}$, is significantly…

The electric conductivity of Dirac electrons in the organic conductor $\alpha$-(BEDT-TTF)$_2$I$_3$ [BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene] under pressure has been examined using a two-dimensional tight-binding (TB) model with…

Anthracyne (2DDA). 2DDA consists of chains of Dewar-anthracenes connected by acetylenic linkages. DFT-based simulations show that 2DDA is thermally stable and exhibits no imaginary phonon modes, confirming its dynamic stability. 2DDA is…

We report the computational discovery and characterization of Dodecaphenylyne (DP), a novel carbon allotrope with a distinctive geometric arrangement. DP structural, thermodynamic, mechanical, electronic, and optical properties were…

We report a molecular dynamics study on the tensile mechanics of graphene as gradually rotating the tensile direction from armchair to zigzag direction, covering the complete range of chiral directions which has never been explored so far.…

Two-dimensional (2D) metal-diboride ZrB2 monolayers was predicted theoretically as a stable new electronic material [A. Lopez-Bezanilla, Phys. Rev. Mater., 2018, 2, 011002 (R)]. Here, we investigate its electronic transport properties along…

A quasi-2D semiconductor carbon allotrope called tetrahexcarbon, also named tetragraphene, was recently proposed featuring an unusual structure combining squared and hexagonal rings. Mechanical and electronic properties of tetragraphene…

The charge-carrier transport properties of ultrathin metallic films are analysed with ab-initio methods using the density functional theory (DFT) on free-standing single crystalline slabs in the thickness range between 1 and 8 monolayers…

A large negative magnetoresistance is anticipated in topological semimetals in the parallel magnetic and electric field configuration as a consequence of the nontrivial topological properties. The negative magnetoresistance is believed to…

Ca3Ru2O7 is a correlated and spin-orbit-coupled system with an extraordinary anisotropy. It is both interesting and unique largely because this material exhibits conflicting phenomena that are often utterly inconsistent with traditional…

Organic semi-conductors have unique electronic properties and are important systems both at the fundamental level and also for their applications in electronic devices. In this article we focus on the particular case of rubrene which has…