Related papers: A mixed ultrasoft/normconserved pseudopotential sc…

Despite more than two decades of intensive investigations, the true nature of high temperature (high-$T_c$) superconductivity observed in the cuprates remains elusive to the researchers. In particular, in the so-called `underdoped' region,…

The Hubbard model is reformulated in terms of different ``colored'' fermion species for the electrons or holes at different lattice sites. Antiferromagnetic ordering or d-wave superconductivity can then be described in terms of…

Acoustic metamaterials offer exceptional control over wave propagation, but their potential remains unfulfilled due to fabrication constraints. Conventional processes yield mostly rigid, planar structures, whereas soft-matter alternatives…

We benchmark ionisation and excitation energies of transition-metal atoms Sc-Zn with a transcorrelated Hamiltonian combined with pseudopotentials. The similarity transformed Hamiltonian provides compact TC wave functions in affordable…

Quantum ground states which arise at atomically controlled oxide interfaces provide an opportunity to address key questions in condensed matter physics, including the nature of two-dimensional (2D) metallic behaviour often observed adjacent…

Due to their high force sensitivity, mechanical resonators combining low mechanical dissipation with a small motional mass are highly demanded in fields as diverse as resonant force imaging, mass sensing, or cavity optomechanics.…

The package fhi98PP allows one to generate norm-conserving pseudopotentials adapted to density-functional theory total-energy calculations for a multitude of elements throughout the periodic table, including first-row and transition metal…

By means of extensive simulations, we investigate concentrated solutions of globular single-chain nanoparticles (SCNPs), an emergent class of synthetic soft nano-objects. By increasing the concentration, the SCNPs show a reentrant behaviour…

We present a density functional theory based method for calculating NMR shielding tensors for 3d transition metal nuclei using periodic boundary conditions. Calculations employ the gauge-including projector augmented-wave pseudopotentials…

We propose a scheme to generate spin cat states, i.e., superpositions of maximally separated quasiclassical states on a single high-dimensional nuclear spin in a solid-state device. We exploit a strong quadrupolar nonlinearity to drive the…

Quantum Monte Carlo methods provide in principle an accurate treatment of the many-body problem of the ground and excited states of condensed systems. In practice, however, uncontrolled errors such as those arising from the fixed-node and…

Significant effort has been expended in the search for materials with ultra-fast nonlinear-optical susceptibilities, but most fall far below the fundamental limits. This work applies a theoretical materials development program that has…

Coherent quantum systems are a key resource for emerging quantum technology. Solid-state spin systems are of particular importance for compact and scalable devices. However, interaction with the solid-state host degrades the coherence…

In this work, we revisit the idea of using an interferometer of pairs of Josephson junctions as a protected rhombus qubit. Unlike in the original proposal, where the qubit states are encoded into odd and even parity charge states, here, we…

In the distributed quantum computing paradigm, well-controlled few-qubit `nodes' are networked together by connections which are relatively noisy and failure prone. A practical scheme must offer high tolerance to errors while requiring only…

Semiconducting-like low-temperature in-plane resistivity indicates that there are no remnants of superconductivity above the resistive phase transition at T > Tc in underdoped cuprates. The model with the chemical potential pinned near the…

We introduce generalized versions of complex Scarf and Morse-type potentials that con- tain energy-dependent parameters. PT -symmetry and pseudo-hermiticity of the associated quantum systems are discussed, and a modified orthogonality…

We show that small soft terms can create a supersymmetry breaking minimum along a pseudo-flat direction of a hidden sector which would otherwise be incapable of spontaneous supersymmetry breaking. As this minimum lies along a pseudo-flat…

First-principles calculations in crystalline structures are often performed with a planewave basis set. To make the number of basis functions tractable two approximations are usually introduced: core electrons are frozen and the diverging…

Superconducting quantum circuits are sensitive to their electrostatic environment: uncontrolled charges accumulating on the electrodes of a Josephson junction shift the energy levels of a qubit, perturbing its operation and restricting…