Related papers: Nesting Induced Peierls-type Instability for Compr…
We show from first-principles that barrel-shaped structures within the Fermi surface of the centrosymmetric intermetallic compounds GdRu$_2$Si$_2$ and Gd$_2$PdSi$_3$ give rise to Fermi surface nesting, which determines the strength and sign…
Recently Kawashima has reported that, when wetted with alkanes, several forms of graphite and single-layer graphene exhibit superconductor-like properties above room temperature under ambient pressure [AIP Adv. 2013, 3, 052132;…
This study uses the Density Functional Theory to explore the pressure dependent properties of hexagonal BeB2C. The metallic nature of BeB2C was substantiated at ambient pressure, with pressure induced alterations in electronic band…
Precipitation-strengthened alloys, such as Ni-base, Co-base and Fe-base superalloys, show the development of dendrite-like precipitates in the solid state during aging at near-$\gamma^{\prime}$ solvus temperatures. These features arise out…
The nature of the charge density wave phases in the kagome metal compound AV$_3$Sb$_5$ has raised many questions and their origin is still under debate. Here, we combine diffuse scattering (DS) and inelastic x-ray scattering (IXS) to…
Using {\it ab initio} molecular dynamics we investigate the electronic and lattice structure of $A$Fe$_2$As$_2$ ($A$=Ca, Sr, Ba) under pressure. We find that the structural phase transition (orthorhombic to tetragonal symmetry) is always…
The departure from perfect spherical symmetry in the case of fullerenes, C60 being the sole exception, induces instabilities due to the stresses generated by the pentagonal protrusions in the sigma-bonded surfaces. By assuming sigma and pi…
Using advanced dynamical mean-field theory on a realistic level we study the normal-state correlated electronic structure of the high-pressure superconductor La$_3$Ni$_2$O$_7$ and compare the features of the conventional bilayer (2222)…
Attosecond extreme-ultraviolet (XUV) transient absorption spectroscopy measurements on the Peierls-distorted phase of the semimetal antimony (Sb) are presented. After excitation by an ultrashort, broad band near-infrared (NIR) pulse, the…
The low-temperature phase diagram of multilayer graphene heterostructures is largely defined by the exchange-driven instability that lifts the four-fold isospin degeneracy. Such instability gives rise to the quarter- and half-metal phases,…
Alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We…
Synchrotron X-ray diffraction experiment shows that the metal-insulator transition occurring in a ferromagnetic state of a hollandite K$_2$Cr$_8$O$_{16}$ is accompanied by a structural distortion from the tetragonal $I4/m$ to monoclinic…
We theoretically study ambient pressure superconductivity in thin films of La$_3$Ni$_2$O$_7$. We construct model Hamiltonians adopting the crystal structure theoretically determined by fixing the in-plane lattice constant to those…
The lack of nesting of the electron and hole Fermi-surface sheets in the Fe-based superconductor LiFeAs, with a critical temperature of 18 K, has led to questions as to whether the origin of superconductivity in this material might be…
Using angle-resolved photoemission spectroscopy (ARPES) and resonant ARPES, we report evidence of strong anisotropic conduction-f electron mixing (c-f mixing) in CeBi by observing a largely expanded Ce-5d pocket at low temperature, with no…
Hexagonally deformed Fermi surfaces and strong nesting, found in topological insulators (TIs) such as $Bi_2Se_3$ and $Bi_2Te_3$, have led to several predictions of the existence of Density Wave order in these systems. Recent evidence for…
The effect of hydrostatic pressure on the electronic structures of iron pnictide superconducting compounds LiFeAs and NaFeAs through density functional theory based first principles studies are presented, using the predicted crystal…
Conduction electrons interacting with a dynamic impurity can give rise to a local Fermi liquid. The latter has the same low energy spectrum as an ideal Fermi gas containing a static impurity. The Fermi liquids's elementary excitations are…
The drastic changes of Fermi surfaces as well as transport anomalies near P=Pc~2.35 GPa in CeRhIn5 are explained theoretically from the viewpoint of sharp valence change of Ce. It is pointed out that the key mechanism is the interplay of…
It has been suggested that the metal-insulator transitions in a number of spinel materials with partially-filled t_2g d-orbitals can be explained as orbitally-driven Peierls instabilities. Motivated by these suggestions, we examine…