Related papers: Electronic topological transition in LaSn$_3$ unde…
Electronic structures of orthorhombic ternary nickel silicides: superconducting Lu2Ni3Si5 and its non-superconducting counterpart, Y2Ni3Si5, have been calculated employing the fully-relativistic and full-potential local-orbital method…
The recent discovery of superconductivity with a transition temperature $T_c$ exceeding 40 K in La$_3$Ni$_2$O$_7$ and (La,Pr)$_{3}$Ni$_2$O$_7$ thin films at ambient pressure marks a significant breakthrough in the field of nickelate…
Amongst the iron-based superconductors, LiFeAs is unrivalled in the simplicity of its crystal structure and phase diagram. However, our understanding of this canonical compound suffers from conflict between mutually incompatible…
The tetragonal-to-orthorhombic phase transition at $T_s$, which precedes the antiferromagnetic phase transition at $T_N$ in many iron-based superconductors, is considered as one of the manifestations of electronic \textit{nematic} order. By…
The discovery of superconductivity with a critical temperature of about 80~K in La$_{3}$Ni$_{2}$O$_{7}$ single crystals under pressure has received enormous attention. La$_{3}$Ni$_{2}$O$_{7}$ is not superconducting under ambient pressure…
We present detailed studies of the high-field magnetoresistance of the layered organic metal $\kappa$-(BETS)$_2$\-Mn\-[N(CN)$_2$]$_3$ under a pressure slightly above the insulator-metal transition. The experimental data are analysed in…
We study the effect of electron-electron interaction on the surface resistivity of three-dimensional (3D) topological insulators. In the absence of umklapp scattering, the existence of the Fermi-liquid ($T^2$) term in resistivity of a…
Ru$_3$Sn$_7$, an intermetallic compound with advanced catalytic properties, exhibits a complex crystal structure and intriguing electronic properties, making it an attractive candidate for investigations under high-pressure (HP). The…
The stannide family of materials A3T4Sn13 (A = La,Sr,Ca, T = Ir,Rh) is interesting due to the interplay between a tunable lattice instability and phonon-mediated superconductivity with Tc ~ 5-7 K. In Sr3Ir4Sn13 a structural transition…
The mechanism of high temperature superconductivity in the iron-based superconductors remains an outstanding issue in condensed matter physics. The electronic structure, in particular the Fermi surface topology, is considered to play an…
Stoichiometric SnTe is theoretically a small gap semiconductor that undergoes a ferroelectric distortion on cooling. In reality however, crystals are always non-stoichiometric and metallic; the ferroelectric transition is therefore more…
The electronic structures of the ground state for several different superconducting materials, such as cuprates, conventional 3-dimensional superconductors, doped semiconductors and low-dimensional systems, are quite different and sometimes…
Nontrivial topology in type-II Dirac semimetal NiTe$_2$ leading to topologically protected surface states give rise to fascinating phenomena holding great promise for next-generation electronic and spintronic devices. Key parameters $-$…
The spin-helical surface states in three-dimensional topological insulator (TI), such as Bi2Se3, are predicted to have superior efficiency in converting charge current into spin polarization. This property is said to be responsible for the…
The structure and electronic density of states in layered LnFeAsO$_{1-x}$F$_x$ (Ln=La,Sm; $x$=0.0, 0.125, 0.25) are investigated using density functional theory. For the $x$=0.0 system we predict a complex potential energy surface, formed…
Pressure induced electronic topological transitions in the wide band gap semiconductor Sb2S3 (Eg = 1.7-1.8 eV) with similar crystal symmetry (SG: Pnma) to its illustrious analog, Sb2Se3, has been studied using Raman spectroscopy,…
A rapid and anisotropic modification of the Fermi-surface shape can be associated with abrupt changes in crystalline lattice geometry or in the magnetic state of a material. In this study we show that such an electronic topological…
We have presented the structural, elastic, optoelectronic and transport properties of Sr3SnO under pressure by using first principles method. The application of hydrostatic pressure causes charge transfer from Sr(5s) orbital to Sn(5p) and…
The electronic structure of Y$_{4}$Co$_{3}$ has been studied based on the density functional theory within the local-density approximation. The calculation indicates that Y$_{4}$Co$_{3}$ is very close to ferromagnetic instability. The Fermi…
The interplay between strong electronic correlations, unconventional superconductivity, and symmetry-protected topology provides a fertile ground for discovering exotic quantum states. In this work, we investigate the correlated electronic…