Related papers: Charge density wave in single-layer Pb/Ge(111) dri…
By performing density functional theory-based calculations, we investigate how hydrogen atom interacts with the surfaces of monolayer PbI2 and how one and two side hydrogenation modify its structural, electronic, and magnetic properties.…
The extraordinary electronic and optical properties of the crystal-to-amorphous transition in phase-change materials led to important developments in memory applications. A promising outlook is offered by nanoscaling such phase-change…
We report on broadband dielectric spectroscopy on the one-dimensional semiconductor (NbSe4)3I. Below the structural phase transition close to 270 K we observe colossal dielectric constants with a frequency and temperature dependence very…
The leading superconducting instabilities of the two-dimensional extended repulsive one-band Hubbard model within spin-fluctuation pairing theory depend sensitively on electron density, band and interaction parameters. We map out the phase…
The Rashba superconductor, in which spin-splitting bands become superconducting, is fascinating as a novel superconducting system in low dimensional systems. Here, we present the results of $\textit{in-situ}$ transport measurements on a…
The properties of 2D materials are strongly influenced by their substrate, leading to a variety of "proximity effects" like screening, charge transfer, and hybridization. Surprisingly, there is a dearth of theoretical studies on these…
We investigate topological superconductivity in the Rashba-Hubbard model, describing heavy-atom superlattice and van der Waals materials with broken inversion. We focus in particular on fillings close to the van Hove singularities, where a…
The R$_5$Pb$_3$O family was discovered decades ago, but has remained largely unexplored. Here, we report single crystal growth and basic characterization for the La and Ce members of this family. At room temperature, these compounds adopt a…
Experiments on rare-earth filled skutterudites demonstrate an intriguing array of thermodynamic, transport and superconducting properties, and bring to fore theoretical challenges posed by f-electron systems. First principle calculations…
We study the charge-density wave phase in $\textup{TiSe}_2$ by using first principle calculations. We show that, regardless of the local functional used and as long as the cell parameters are in agreement with the experiment,…
The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, we study the electronic structure of InAs(001), InAs(111), and…
Plane wave density functional theory codes generally assume periodicity in all three dimensions. This causes difficulties when studying charged systems, for instance energies per unit cell become infinite, and, even after being renormalised…
The $\sqrt{13}\times\sqrt{13}$ charge density wave state of the T polytype of MX$_2$ (M=Nb,Ta, X=S, Se) is known to host a half-filled flat band, which electronic correlations drive into a Mott insulating state. When T polytypes are coupled…
It is well known that the (1x5) superstructure of Bi cuprate superconductors will be suppressed due to optimum doping with Pb. Nevertheless, a Fermi surface map of (Pb,La)-Bi2201 (Pb = 0.4 and La = 0.4) determined by angular resolved…
We study the coexistence of pair- (PDW) and charge-density-wave (CDW) states within the single-band $t$-$J$-$U$ and Hubbard models of $d$-$wave$ superconductivity and discuss our results in the context of the experimental observations for…
Charge density waves (CDW) are states of broken symmetry with a periodic modulation of charge and lattice typically leading to the opening of a gap in the band structure. In the model CDW system 1T-TiSe$_2$ such a gap opens up between its…
There is growing evidence that the hole-doped single-band Hubbard and $t$-$J$ models do not have a superconducting ground state reflective of the high-temperature cuprate superconductors but instead have striped spin- and charge-ordered…
The electronic band structure and Fermi surface of ZrTe_3 was precisely determined by linearly polarized angle-resolved photoelectron spectroscopy. Several bands and a large part of the Fermi surface are found to be split by 100-200 meV…
To explore material dependence of layered cuprate superconductors, we examine effective two-particle interactions for Hg1201 and Tl1201, where Tl1201 having a nearly half value of Tc of Hg1201 even at the optimal oxygen concentration.…
Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi$_3$. A temperature - pressure phase diagram is determined and the…