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Iron arsenide superconductors based on the material LaFeAsO1-xFx are characterized by a two-dimensional Fermi surface (FS) consisting of hole and electron pockets yielding structural and antiferromagnetic transitions at x = 0. Electron…
It has been recently observed that the conventional electron-phonon mediated superconducting phase in graphene can be easily induced by doping its surface with the lihitum adatoms. Due to the emerging interest in this field of research we…
Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten…
A variational Monte Carlo calculation is used for studying the ground state of the two-dimensional Hubbard model, including hopping between both nearest and next-nearest neighbor sites. Superconductivity with d-wave symmetry is found to be…
Knowledge of the behavior of hydrogen in metal hydrides is the key for understanding their electronic properties. So far, no experimental methods exist to access these properties beyond 100 GPa, where high-Tc superconductivity emerges.…
Recently, several research groups announced reaching the point of metallization of hydrogen above 400 GPa. Following the mainstream of extensive investigations of compressed polyhydrides, in this work we demonstrate that small (4 atom %)…
While topological superconductors are predicted to provide building blocks for fault-tolerant quantum computing, one of the remaining challenges is to find a convenient experimental platform that would allow patterning of circuits. We find…
Despite often being dismissively described as exhibiting conventional Fermi-liquid-like behaviour, heavily overdoped high-Tc cuprates sport several unexpected features. Thermodynamic properties expected to be roughly constant with doping…
We present a comprehensive computational investigation of electron-phonon interactions in MXH$_3$ hydride compounds, where $M$ represents alkali and post-transition metals, and $X$ denotes 3$d$, 4$d$, and 5$d$ transition metals. Our density…
Effects of inhomogeneous doping on the high-$T_c$ cuprate superconductors are studied within the framework of the t-J model. Especially, the boundary between two non-superconducting regions with doping rates much higher and lower than the…
Recent predictions of metastable high-temperature hydride superconductors give hope that superconductivity at ambient conditions is within reach. In this work, we predict RbPH$_3$ as a new compound with a superconducting critical…
Based on the first-principles density functional theory electronic structure calculation, we investigate the possible phonon-mediated superconductivity in arsenene, a two-dimensional buckled arsenic atomic sheet, under electron doping. We…
In the recently synthesized Li$_x$(NH$_2$)$_y$(NH$_3$)$_z$Fe$_2$Se$_2$ family of iron chalcogenides a molecular spacer consisting of lithium ions, lithium amide and ammonia separates layers of FeSe. It has been shown that upon variation of…
In iron pnictides, high temperature superconductivity emerges after suppressing antiferromagnetism by doping. Here we show that antiferromagnetism in Ca$_{1-x}$La$_x$FeAs$_2$ is robust against and even enhanced by doping. Using…
Various clathrate superhydride superconductors have been found to possess hydrogen deficiency in experimental samples, while their impacts on superconductivity are often neglected. In this study, we investigate the superconductivity of…
Layered organic superconductors of the BEDT family are model systems for the interplay of the Mott transition with superconductivity, magnetic order and frustration. Recent experimental studies on a hole-doped version of BEDT compounds…
Understanding the doping evolution from a Mott insulator to a superconductor probably holds the key for resolving the mystery of unconventional superconductivity in copper oxides. To elucidate the evolution of the electronic state starting…
Dilute superconductivity survives in bulk strontium titanate when the Fermi temperature falls well below the Debye temperature. Here, we show that the onset of the superconducting dome is dopant-dependent. When mobile electrons are…
In the iron-based high-Tc bulk superconductors, Tc above 50K was only observed in the electron-doped 1111-type compounds. Here we revisit the electron-doped SmFeAsO polycrystals to make a further investigation for the highest T-c in these…
Organic superconductors are unique materials with a crystal structure made primarily of a complex carbon based network, an element associated directly with life, which were postulated to have a high critical temperature, $T_{C}$, even above…