Related papers: Pressure Induced Fermi Surface Deformation in Lith…
Alkalies are considered to be simple metals at ambient conditions. However, recently reported theoretical and experimental results have shown an unexpected and intriguing correlation between complex structures and an enhanced…
Light alkali metals have usually been considered as simple metals due to their monovalency and high conductivity. In these metals ionic pseudopotentials are weak and the nearly free electron model (NFE) becomes quite accurate at normal…
Lithium, a prototypical simple metal under ambient conditions, has a surprisingly rich phase diagram under pressure, taking up several structures with reduced symmetry, low coordination numbers, and even semiconducting character with…
The Fermi surface topology of $cI$16 Li at high pressures is studied using a recently developed first-principles unfolding method. We find the occurrence of a Lifshitz transition at $\sim$43 GPa, which explains the experimentally observed…
The phase landscape of UTe$_2$ features a remarkable diversity of superconducting phases under applied pressure and magnetic field. Recent quantum oscillation studies at ambient pressure have revealed the quasi-2D Fermi surface of this…
Lithium - the lightest alkali metal - exhibits unexpected structures and electronic behaviour at high pressures. As the heavier alkalis, Li is bcc at ambient pressure and transforms first to fcc (at 7.5 GPa). The post-fcc high-pressure form…
We study the deformation of a Fermi surface (FS) near charge-ordering (CO) transition. By applying a fluctuation-exchange approximation to the two-dimensional extended Hubbard model, we show that the FS is largely modified by strong charge…
The phase diagrams of correlated systems like cuprates or pnictides high-temperature superconductors are characterized by a topological change of the Fermi surface under continuous variation of an external parameter, the so-called Lifshitz…
Extreme pressure strongly affects the superconducting properties of ``simple'' elemental metals, like Li, K and Al. Pressure induces superconductivity in Li (as high as 17 K), while suppressing it in Al. We report first-principles…
The deformation of a Fermi surface is a fundamental phenomenon leading to a plethora of exotic quantum phases. Understanding these phases, which play crucial roles in a wealth of systems, is a major challenge in atomic and condensed-matter…
We argue that an ionic lattice surrounded by a Fermi liquid changes phase several times under pressure, oscillating between the symmetric phase and a low-symmetry dimerized structure, as a consequence of Friedel oscillations in the pair…
I discuss the behaviour of Group 1 and 2 elements under pressure, describing crystallography based on diamond anvil pressure cell experiments and electronic structure calculations. In addition to these precise methods, we discuss more…
Electron-electron interactions can induce Fermi surface deformations which break the point-group symmetry of the lattice structure of the system. In the vicinity of such a "Pomeranchuk instability" the Fermi surface is easily deformed by…
We study theoretically the deformation of the Fermi surface (FS) of a three-dimensional gas of Rydberg-dressed $^6$Li atoms. The laser dressing to high-lying Rydberg $D$ states results in angle-dependent soft-core-shaped interactions whose…
In this paper, we present pressure dependent structural parameters and electronic structure of ThFeAsN superconductor. There are no anomalies in the structural parameters as well as elastic constants with hydrostatic pressure which is…
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…
We analyze the deformations of the Fermi surface induced by electron-electron interactions in anisotropic two dimensional systems. We use perturbation theory to treat, on the same footing, the regular and singular regions of the Fermi…
Topological semimetals generally contain heavy elements. Using density-functional theoretic calculations, we predict that three dense lithium polymorphs in the pressure range 200--360 GPa display nontrivial semimetallic electronic…
Using Migdal-Eliashberg theory implemented in Electron Phonon Wannier (EPW) code, we have investigated anisotropic superconductivity in a ternary boride $\mathrm{Ta(MoB)_2}$. It is a single-gap, anisotropic, phonon-mediated superconductor…
Pressure dependence of the electronic and crystal structures of K$_{x}$Fe$_{2-y}$Se$_{2}$, which has pressure-induced two superconducting domes of SC I and SC II, was investigated by x-ray emission spectroscopy and diffraction. X-ray…