Related papers: Doped graphane: a prototype high-Tc electron-phono…
Being a true two-dimensional crystal, graphene has special properties. In particular, a point-like defect in graphene may have effects in the long range. This peculiarity questions the validity of using a supercell geometry in an attempt to…
We present a theoretical investigation on electron-phonon superconductivity of honeycomb MX$_2$ layered structures. Where X is one element of the group-IV (C, Si or Ge) and M an alkali or an alkaline-earth metal. Among the studied…
While doping and defects are often considered detrimental to material performance, at the nanoscale, modifications are needed to create novel properties beneficial for device applications. In this work, we focus on optimizing graphene as a…
Superconductivity with transition temperature $T_c=1.7$ K has been reported in bilayer graphene [1,2]. The main factors, which may shed light on the mechanism of the formation of this superconductivity, are the following. Superconductivity…
We, basing on the quantum critical point (QCP)($p = 0.19 $), propose a phenomenological description on high-$T_c$ superconductivity in the cuprate superconductors, and suggest it divides the whole doping region into two parts: the…
Electron-doped strontium titanate $\rm{SrTiO_3}$, known to be one of the most dilute superconductors, is investigated on the basis of the first-principles calculations. When the carrier density n decreases, the frequencies of the…
We analyze the mathematical structure of equations for temperature Tc of the superconductivity transition in a gas of interacting Fermi particles or at the phonon-mediated pairing in a metal in case of non-adiabatic conditions, i. e., when…
Conversion of electric current into heat involves microscopic processes that operate on nanometer length-scales and release minute amounts of power. While central to our understanding of the electrical properties of materials, individual…
A recent report that sulfur hydride under pressure is an electron-phonon superconductor with a Tc of 190 K has been met with much excitement although it is yet to be confirmed. Based on several electron-phonon spectral density functions…
Motivated by unexpected reports of a 26 K superconducting transition in elemental titanium at high pressure, we carry out an accurate ab-initio study of its properties to understand the rationale for this observation. The critical…
In this work, we investigate the possibility of enhancing the thermoelectric power (Seebeck coefficient) in graphene devices by strain and doping engineering. While a local strain can result in the misalignment of Dirac cones of different…
Allotropes of carbon, such as diamond and graphene, are among the best conductors of heat. We monitored the evolution of thermal conductivity in thin graphite as a function of temperature and thickness and found an intimate link between…
Since advanced Silicon-based device components are moderately chemically tunable, doped graphene has emerged as a promising candidate to replace this semiconducting material in flexible miniaturized electronic devices. Indeed, heteroatom…
The electrical properties of graphene are known to be modified by chemical species that interact with it. We investigate the effect of doping of graphene-based devices by toluene (C6H5CH3). We show that this effect has a complicated…
The two-dimensional graphene-like carbon allotrope, graphyne, has been recently fabricated and exhibits many interesting electronic properties. In this work, we investigate the thermoelectric properties of {\gamma}-graphyne by performing…
Penta-graphene (PG) has been identified as a novel 2D material with an intrinsic bandgap, which makes it especially promising for electronics applications. In this work, we use first-principles lattice dynamics and iterative solution of the…
The superconducting transition temperature, $T_{\rm{c}}$, of FeSe can be significantly enhanced several-fold by applying pressure, electron doping, intercalating spacing layer, and reducing dimensionality. Various ordered electronic phases,…
We report transport and magnetization measurements on graphitic materials that have been hydrogenated after being treated with octane. The temperature-dependent electrical resistivity shows anomalies manifested as re-entrant insulator-metal…
C$_3$N$_4$ is a recently discovered phase of carbon nitrides with the tetragonal crystal structure [D.Laniel $\textit{et al.}$, Adv. Mater. 2023, 2308030] that is stable at ambient conditions. C$_3$N$_4$ is a semiconductor exhibiting…
Graphene is an excellent candidate for the next generation of electronic materials due to the strict two-dimensionality of its electronic structure as well as the extremely high carrier mobility. A prerequisite for the development of…