Related papers: Electronic structure, spin-orbit interaction and e…
We investigate the electronic structure of the flat bands induced by moir\'e superlattices and electric fields in nearly aligned ABC trilayer graphene-boron nitride interfaces where Coulomb effects can lead to correlated gapped phases. Our…
We report a first principles computational analysis of two phonon-mediated superconductors, In$_{5}$Bi$_{3}$ and In$_{5}$Sb$_{3}$. We show that spin-orbit coupling leads to splitting of electron bands around the Fermi energy, resulting in a…
Given the rarity of metallic systems that exhibit ferroelectric-like transitions, it is apparently challenging to find a system that simultaneously possesses superconductivity and ferroelectric-like structural instability. Here, we report…
We have investigated the electronic structure and the Fermi surface of SnO using density functional theory (DFT) calculations within recently proposed exchange-correlation potential (PBE+mBJ) at ambient conditions and high pressures up to…
The structural and electronic properties of Si(335)-Au surface decorated with Pb atoms are studied by means of density-functional theory. The resulting structural model features Pb atoms bonded to neighboring Si and Au surface atoms,…
Superconductivity in alkali-intercalated iron selenide, with T_c's of 30K and above, may have a different origin than that of the other Fe-based superconductors, since it appears that the Fermi surface does not have any holelike sheets…
Semiconductor Rashba nanowires are quasi-one dimensional systems that have large spin-orbit (SO) coupling arising from a broken inversion symmetry due to an external electric field. There exist parametrized multiband models that can…
We investigate the nature of the superconducting state in curved nanostructures with Rashba spin-orbit coupling (RSOC). In bent nanostructures with inhomogeneous curvature we find a local enhancement or suppression of the superconducting…
The development of magnetic heterostructures with strong spin-orbit torques (SOTs), low impedance, strong perpendicular magnetic anisotropy (PMA), and good integration compatibility at the same time is central for high-performance…
The electronic and phonon properties of the platinum pnictide superconductors $A$Pt$_3$P ($A$=Ca, Sr, and La) were studied using first-principles calculations. The spin-orbit coupling effect is significant in LaPt$_3$P but negligible in…
Two-dimensional (2D) boron has been predicted to show superconductivity. However, intrinsic 2D carbon and phosphorus have not been reported to be superconductors, which, inspires us to seek superconductivity in their mixture. Here we…
The pyrochlore lattice, a three-dimensional network of corner-sharing tetrahedra, is a promising material playground for correlated topological phases arising from the interplay between spin-orbit coupling (SOC) and electron-electron…
Boron in MgB_2 forms layers of honeycomb lattices with magnesium as a space filler. Band structure calculations indicate that Mg is substantially ionized, and the bands at the Fermi level derive mainly from B orbitals. Strong bonding with…
We have performed x-ray photoemission spectroscopy on the system of noncentrosymmetric superconductor, Li$_2$(Pd$_x$Pt$_{1-x}$3)B. For Li$_2$Pt$_3$B, we found 2 major peaks with 2 other weak components, and the band calculations were in…
We have studied the variation of Tc with charge density and lattice parameters in Mg1-xAlxB2 superconducting samples at low Al doping x<8%. We show that high Tc occurs where the chemical potential is tuned at a "superconducting shape…
We propose a theory of strong spin-lattice and spin-phonon coupling in iron pnictides and discuss its implications on superconductivity. Strong magneto-volume effect in iron compounds has long been known as the Invar effect. Fe pnictides…
Artificially engineered topological superconductivity has emerged as a viable route to create Majorana modes, exotic quasiparticles which have raised great expectations for storing and manipulating information in topological quantum…
Charge, spin and lattice degrees of freedom are strongly entangled in iron superconductors. A neat consequence of this entanglement is the behavior of the A_{1g} As-phonon resonance in the different polarization symmetries of Raman…
The discovery of superconductivity in MgB$_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…
Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…