Related papers: Towards temperature-induced topological phase tran…
Monolayer 1T'-WTe2 is a quantum spin Hall insulator with a gapped bulk and gapless helical edge states persisting to temperatures around 100 K. Recent studies have revealed a topological-to-trivial phase transition as well the emergence of…
In this work we investigate temperature dependence of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a…
We report a systematic study of the normal-state and superconducting properties of single crystal Pb$_{1-x}$Sn$_{x}$TaSe$_{2}$ $(0\leq x \leq 0.23)$. Sn doping enhances the superconducting temperature $T_{c}$ up to 5.1 K while also…
The temperature dependence of the band gap of semiconducting single-wall carbon nanotubes (SWNTs) is calculated by direct evaluation of electron-phonon couplings within a ``frozen-phonon'' scheme. An interesting diameter and chirality…
Using spin- and angle-resolved spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi$_{1-x}$In$_x$)$_2$Se$_3$ bulk single crystals around the critical point of the trivial to…
Topological phononic insulators are the counterpart of three-dimensional quantum spin Hall insulators in phononic systems and, as such, their topological surfaces are characterized by Dirac cone-shaped gapless edge states arising as a…
Based on density functional theory (DFT), we investigate the electronic properties of bulk and single-layer ZrTe$_4$Se. The band structure of bulk ZrTe$_4$Se can produce a semimetal-to-topological insulator (TI) phase transition under…
We report that the lowest energy transverse-optic phonon in metallic SnTe softens to near zero energy at the structural transition at $T_C=75 \text{~K}$ and importantly show that the energy of this mode below $T_C$ increases as the…
From the analysis of the cyclotron resonance, we experimentally obtain the band structure of the three-dimensional topological insulator based on a HgTe thin film. Top gating was used to shift the Fermi level in the film, allowing us to…
We performed X-ray diffraction and electrical resistivity measurement up to pressures of 5 GPa and the first-principles calculations utilizing experimental structural parameters to investigate the pressure-induced topological phase…
Knowing the electronic structure of a material is essential in energy applications to rationalize its performance and propose alternatives. Materials for thermoelectric applications are generally small-gap semiconductors and should have a…
The electronic structure and thermoelectric properties of SnSe are studied by first-principles methods. The inclusion of van der Waals dispersive corrections improves the agreement of structural parameters with experiments. The bands…
Topological quantum materials coupled with magnetism can provide a platform for realizing rich exotic physical phenomena, including quantum anomalous Hall effect, axion electrodynamics and Majorana fermions. However, these unusual effects…
We analyze mass renormalization in massive Dirac-like systems in (2+1) dimensions arising from electron-phonon interactions at finite temperatures, employing the large-$N$ expansion. Our model combines the low-energy description of charge…
In this work we investigate temperature dependence of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a…
Based on the first-principles band structure calculations, we investigate the effects of hydrostatic pressure on the conventional insulator (CI) Sb_2Se_3 and predict that it undergoes a topological quantum phase transition from a CI to a…
We present theoretical investigations of pressure and temperature driven phase transitions in HgTe quantum wells grown on CdTe buffer. Using the 8-band \textbf{k$\cdot$p} Hamiltonian we calculate evolution of energy band structure at…
The Allen-Heine-Cardona theory allows us to calculate phonon-induced electron self-energies from first principles without resorting to the adiabatic approximation. However, this theory has not been able to account for the change of the…
The 1T polymorph of NbSe$_2$, long confined to the monolayer limit, has remained inaccessible in bulk. Here, we report the realization of bulk 1T-NbSe$_2$ via electrochemical Sn intercalation. Transmission electron microscopy directly…
Elemental substitution is a proven method of Fermi level tuning in topological insulators, which is needed for device applications. Through static and time resolved photoemission, we show that in MnBi$_2$Te$_4$, elemental substitution of Bi…