Related papers: Multigap superconductivity in lithium intercalated…
Recently, coexisting ferroelectricity and superconductivity were reported in bilayer T$_{\textrm{d}}$-MoTe$_2$ and twisted bilayer graphene. Importantly, it was observed that an applied displacement field switches the superconductivity with…
Behavior consistent with Coulomb-mediated high-T$_C$ superconductivity is shown to be present in the intercalated group-4-metal nitride halides A$_x$(S)$_y$MNX, where the MNX host (M = Ti, Zr, Hf; X = Cl, Br) is partially intercalated with…
Bilayer van der Waals (vdW) heterostructures such as MoS2/WS2 and MoSe2/WSe2 have attracted much attention recently, particularly because of their type II band alignments and the formation of interlayer exciton as the lowest-energy…
The recent discovery of high temperature superconductivity in nickelate systems has generated tremendous interests in the field of superconductivity. The core issue to understand the superconductivity mechanism is about the superconducting…
Although many prototype devices based on two-dimensional (2D) MoS2 have been fabricated and wafer scale growth of 2D MoS2 has been realized, the fundamental nature of 2D MoS2-metal contacts has not been well understood yet. We provide a…
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…
The crystal structure of MoS$_2$ with strong covalent bonds in plane and weak Van der Waals interactions out of plane gives rise to interesting properties for applications such as solid lubrication, optoelectronics, and catalysis, which can…
Superconductivity has recently been observed in moir\'e transition-metal dichalcogenide bilayers. Here, we investigate the superconducting state in twisted WSe$_2$ using two complementary theoretical approaches. The first is based on the…
Recent discovery of ultrathick $\mathrm{MoSi_2N_4(MoN)_n}$ monolayers open up an exciting platform to engineer 2D material properties via intercalation architecture. Here we computationally investigate a series of ultrathick…
Several layered transition metal borides can now be realized by a simple and general fabrication method [Fokwa et al.,Adv. Mater. 2018, 30, 1704181],inspiring our interest to transition metal borides monolayer. Here, we predict a new…
Transition metal dichalcogenide (TMD) bilayers are a new class of tunable moir\'e systems attracting interest as quantum simulators of strongly-interacting electrons in two dimensions. In particular, recent theory predicts that the…
The intercalation-induced phase transition of MoS2 from the semiconducting 2H to the semimetallic 1T' phase has been studied in detail for nearly a decade; however, the effects of a heterointerface between MoS2 and other two-dimensional…
In high temperature cuprate superconductors, the interlayer coupling between the CuO$_2$ planes plays an important role in dictating superconductivity, as indicated by the sensitive dependence of the critical temperature (T$_C$) on the…
We clarify the pairing mechanism of high-$T_c$ superconductivity in bilayer La$_3$Ni$_2$O$_7$ under high pressure by employing the static auxiliary field Monte Carlo approach to simulate a minimal effective model that contains local…
A low and almost temperature independent resistance in the normal state and an anomalous peak effect within the normal-superconducting transition have been observed in BaFe$_{1.8}$Co$_{0.2}$As$_2$/Fe bilayers, prepared on…
The discovery of superconductivity in MgB$_2$ (\(T_c = 39\) K) \cite{nagamatsu2001superconductivity} established metal diborides (MB$_2$) as a promising class of conventional superconductors. Recent advances in fabrication techniques have…
The spin-orbit coupling can lead to exotic states of matter and unexpected behavior of the system properties. In this paper, we investigate the influence of spin-orbit coupling induced by proximity effects on a monolayer of superconductor…
We investigate the effects of lithium intercalation in twisted bilayers of graphene, using first-principles electronic structure calculations. To model this system we employ commensurate supercells that correspond to twist angles of…
We investigate the structural and electronic conditions conducive to superconductivity in layered nickelates using density functional theory with Hubbard corrections (DFT+$U$). For both the bilayer and 1-3 polymorphs of La$_3$Ni$_2$O$_7$,…
The exploration of electrides holds great promise for advancing both fundamental physics and chemistry, owing to their unique characteristics arising from loosely bound interstitial anionic electrons. Here we report a class of cross-chain…