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We construct and thoroughly study a new integrable example of the AdS/CFT correspondence with Schr\"{o}dinger symmetry. On the gravity side, the supergravity solution depends on two parameters and is obtained by marginally deforming the…
We report measurements of the microwave surface impedance of the borocarbide family of superconductors LnNi2B2C (Ln=Y, Er, Tm, Ho). The experiments enable direct measurements of the superfluid density, and are particularly sensitive to the…
CeRh2As2 has recently been reported to be a rare case of multi-phase unconventional superconductor [S. Khim et al., arXiv:2101.09522] close to a quantum critical point (QCP). Here, we present a comprehensive study of its normal state…
A new experimental study by Snider et al. [Nature 586, 373-377 (2020)] reported behavior in a high-pressure carbon-sulfur-hydrogen system that has been interpreted by the authors as superconductivity at room temperature. The sudden drop of…
The implementation of an efficient self-consistent field (SCF) method including both scalar relativistic effects and spin-orbit interaction in density functional theory (DFT) is presented. We make use of Gaussian-type orbitals (GTOs) and…
We determined the frequency dependent effective permittivity of a large ternary network of randomly positioned resistors, capacitors, and diodes. A linear circuit analysis of such systems is shown to match the experimental dielectric…
Recent studies on superconductivity in NbSe$_2$ have demonstrated a large anisotropy in the superconducting critical field when the material is reduced to a single monolayer. Motivated by this recent discovery, we use density functional…
We recently proposed a unified theoretical framework for superconductivity that broadens the applicability of Bardeen-Cooper-Schrieffer (BCS) theory to both conventional and unconventional superconductors. Within this framework,…
We have studied the optical conductivity of two-dimensional (2D) semiconducting transition metal dichalcogenides (STMDC) using ab-initio density functional theory (DFT). We find that this class of materials presents large optical response…
The CuIr$_{2-x}$Ru$_x$Te$_4$ superconductors (with a $T_c$ around 2.8 K) can host charge-density waves, whose onset and interplay with superconductivity are not well known at a microscopic level. Here, we report a comprehensive study of the…
We report synthesis, structural, magnetic, specific heat and Density Functional Theory (DFT) studies on MgCNi3 superconductor. Polycrystalline MgCNi3 samples are synthesized through standard solid state reaction route and found to…
Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant…
The very good performance of modern density functional theory for molecular geometries and harmonic vibrational frequencies has been well established. We investigate the performance of density functional theory (DFT) for quartic force…
We investigate the nature of the 5$f$ electrons in the unconventional odd-parity superconductor UTe$_2$, focusing on the degree of covalency, localization versus itinerancy, and dominant electronic configuration. This is achieved using…
Recent progress in the applications of covariant density functional theory (CDFT) to the description of the spectroscopy of the heaviest nuclei is reviewed. The analysis of quasiparticle spectra in actinides and the heaviest A ~ 250 nuclei…
Chevrel ternary superconductors show an intriguing coexistence of molecular aspects, large electron-phonon and electron-electron correlations, which to some extent still impedes their quantitative understanding. We present a first…
Double hybrid density functional theory arguably sits on the seamline between wavefunction methods and DFT: it represents a special case of Rung 5 on the "Jacobs Ladder" of John P. Perdew. For large and chemically diverse benchmarks such as…
The temperature dependent frequency shifts of the Raman active G-band have recently been measured by R.Walter et al. for single-walled carbon nanotubes containing different concentrations of the magnetic impurity Ni:Co. These Raman data can…
Starting from an {\it ab initio}-derived two-site dimer Hubbard hamiltonian on a triangular lattice, we calculate the superconducting gap functions and critical temperatures for representative $\kappa$-(BEDT-TTF)$_2$X superconductors by…
We report the results of a study of superconducting proximity effects in clean Ferromagnet/Ferromagnet/Superconductor (${\rm F_1F_2S}$) heterostructures, where the pairing state in S is a conventional singlet s-wave. We numerically find the…