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Recent experiments have tuned the monolayer 1T'-WTe2 to be superconducting by electrostatic gating. Here, we theoretically study the phonon-mediated superconductivity in monolayer 1T'-WTe2 via charge doping. We reveal that the emergence of…
Understanding of electron-phonon coupling (EPC) in two dimensional (2D) materials manifesting as phonon renormalization is essential to their possible applications in nanoelectronics. Here we report in-situ Raman measurements of…
Molybdenum ditelluride (MoTe$_2$) is attracting considerable interest since it is the archetypal type-II Weyl semimetal and a candidate for topological superconductivity. We investigate the superconducting phase diagram of two MoTe$_2$…
We present a comprehensive first-principles investigation of the structural, electronic, vibrational, and superconducting properties of halogen-functionalized Mo2YX2 (Y = C, N; X = F, Cl, Br, I) MXene monolayers. Density functional theory…
We present experimental evidence of an intriguing phase transition between distinct topological states in the type-II Weyl semimetal MoTe2. We observe anomalies in the Raman phonon frequencies and linewidths as well as electronic…
Utilizing Migdal-Eliashberg theory of superconductivity within the first-principles calculations, we work out the role of electron-phonon coupling (EPC) and anisotropic superconducting properties of a recently discovered [Appl. Phys. Lett.…
Three-component fermion beyond the conventional Dirac Weyl Majorana classification attracts extensive attentions recently and many efforts have been paid to explore their superconductivity. Based on first-principles calculations, we…
Electron-phonon coupling (EPC) governs lattice dynamics, charge transport, and collective electronic phases in quantum materials. In several families of unconventional superconductors, including transition-metal dichalcogenides and kagome…
Superconductivity occurs in electrochemically doped molybdenum dichalcogenides samples thicker than four layers. While the critical temperature (Tc) strongly depends on the field effect geometry (single or double gate) and on the sample…
We use first-principles methods to study doped strong ferroelectrics (taking BaTiO$_3$ as a prototype). Here we find a strong coupling between itinerant electrons and soft polar phonons in doped BaTiO$_3$, contrary to Anderson/Blount's…
We use a first-principles based self-consistent momentum-resolved density fluctuation (MRDF) model to compute the combined effects of electron-electron and electron-phonon interactions to describe the superconducting dome in the correlated…
Topological superconductors have long been sought for their potential use in quantum computing. The type-II Weyl semimetal MoTe$_{2}$ is an obvious candidate, exhibiting a superconducting state below 500 mK at ambient pressure, but the…
We have studied the electron-phonon and superconducting properties of the Mg{1-x}AlxB2 and MgB{2(1-y)}C{2y} alloys within the framework of density functional theory using the self-consistent virtual-crystal approximation. For both alloys,…
Transition metal dichalcogenides (TMDs), exhibit a range of crystal structures and topological quantum states. The 1$T$ phase, in particular, shows promise for superconductivity driven by electron-phonon coupling, strain, pressure, and…
While electron-phonon coupling (EPC) is crucial for Cooper pairing in conventional superconductors, its role in high-$T_c$ superconducting cuprates is debated. Using resonant inelastic x-ray scattering at the oxygen $K$-edge, we studied the…
The limited quantum yield of strained monolayer transition metal dichalcogenides grown by vapor-phase methods and during transfer-based stacking poses a fundamental challenge for their optoelectronic applications. Here, we introduce the…
Recent studies demonstrate that novel 2D triphosphides semiconductors possess high carrier mobility and promising thermoelectric performance, while the carrier transport behaviors in 2D semimetal triphosphides have never been elucidated…
We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…
We study within a first-principle approach the band structure, vibrational modes and electron-phonon coupling in boron, aluminum and phosphorus doped silicon in the diamond phase. Our results provide evidences that the recently discovered…
The interface-enhanced superconductivity in monolayer iron selenide (FeSe) films on SrTiO3 has been actively pursued in the past decade. Although a synergistic effect between interfacial charge transfer and interfacial electron-phonon…