Related papers: Electronic structure, spin-orbit interaction and e…
The effects of structural quantum criticality on the strong-coupling superconductivity of (Sr$_{1-x}$Ca$_x$)$_3$Rh$_4$Sn$_{13}$ have been investigated via electrical resistivity and specific heat measurements. We demonstrate that the…
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…
Rare-earth based scintillators in general and lanthanum bromide (LaBr_3) in particular represent a challenging class of materials due to pronounced spin-orbit coupling and subtle interactions between d and f states that cannot be reproduced…
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…
The Bi/Ag(111), Pb/Ag(111), and Sb/Ag(111) surface alloys exhibit a two-dimensional band structure with a strongly enhanced Rashba-type spin-splitting, which is in part attributed to the structural asymmetry resulting from an outward…
In non-centrosymmetric superconductors, spin-orbit coupling can induce an unconventional superconducting state with a mixture of s-wave spin-singlet and p-wave spin-triplet channels, which leads to a variety of exotic phenomena, including…
The electronic structure, stability, electron phonon coupling and superconductivity of the non-oxide perovskite MgCNi$_3$ are studied using density functional calculations. The band structure is dominated by a Ni $d$ derived density of…
The coupling of electrons to phonons (electron-phonon coupling) is crucial for the existence of various phases of matter, in particular superconductivity and density waves. Here, we devise a theory that incorporates the quantum geometry of…
Graphene and transition metal dichalcogenide flat-band systems show similar phase diagrams, replete with magnetic and superconducting phases. An abiding question has been whether magnetic ordering competes with superconductivity or…
An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix…
The electronic structure, lattice dynamics, and electron-phonon coupling (EPC) of the newly discovered (Ba,K)SbO$_3$ superconductors are investigated by first-principles calculations. The EPC of (Ba,K)SbO$_3$ is significantly enhanced by…
The discovery of superconductivity at 203K in SH$_3$ is an important step toward higher values of $T_c$. Predictions based on state-of-the-art DFT for the electronic structure, including one preceding experimental confirmation, showed the…
Unconventional superconductivity, where electron pairing does not involve electron-phonon interactions, is often attributed to magnetic correlations in a material. Well known examples include high-T_c cuprates and uranium-based heavy…
Appearance of strong spin-orbit coupling (SOC) is apparent in ternary equiatomic compounds with 5$d$-electrons due to the large atomic radii of transition metals. SOC plays a significant role in the emergence of unconventional…
Spin-phonon interactions in 2D magnetic materials are crucial in advancing next-generation spintronic devices. Therefore, identifying new materials with significant spin-phonon interactions is of great importance. In this context, MnSe,…
It is usually believed that the spin-fluctuation mechanism for high-temperature superconductivity results in d-wave pairing, and that it is destructive for the conventional phonon-mediated pairing. We show that in bilayer materials, due to…
Tuning the energy landscape of manybody electronic states in extended solids through the inductive effect-a concept widely used in organic chemistry-offers a new, effective strategy for materials development. Here, we demonstrate this…
Two possible phases of superhard material BC3 originating from the cubic diamond structure are investigated by ab initio pseudopotential density functional method using generalized gradient approximation (GGA). We calculate their elastic…
Compensated magnetic orders that can split the spin-degeneracy of electronic bands have become a very active field of research. As opposed to spin-orbit coupling, the splitting resulting from these "altermagnets" is not a small relativistic…
We present the results of a crystal structure determination using neutron powder diffraction as well as the superconducting properties of the rare-earth sesquicarbide La2C3 (Tc ~ 13.4 K) by means of specific heat and upper critical field…