相关论文: Nesting Induced Peierls-type Instability for Compr…
The pressure-induced transition of vanadium from BCC to rhombohedral structures is unique and intriguing among transition metals. In this work, the stability of these phases is revisited by using density functional theory. At finite…
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 pressure dependence of the structural ($T_s$), antiferromagnetic ($T_m$), and superconducting ($T_c$) transition temperatures in FeSe is investigated on the basis of the 16-band $d$-$p$ model. At ambient pressure, a shallow hole pocket…
The mechanism of drastic change of Fermi surfaces as well as transport anomalies near P=Pc=2.35 GPa in CeRhIn5 is explained theoretically. The key mechanism is pointed out to be the interplay of magnetic order and Ce-valence fluctuations.…
The discovery of high-temperature superconductivity in iron pnictides raised the possibility of an unconventional superconducting mechanism in multiband materials. The observation of Fermi-surface(FS)-dependent nodeless superconducting gaps…
The Pomeranchuk instability, in which an isotropic Fermi surface distorts and becomes anisotropic due to strong interactions, is a possible mechanism for the growing number of experimental systems which display transport properties that…
We report the electrical resistivity measurements under pressure for the recently discovered BiS2-based layered superconductors Bi4O4S3 and La(O,F)BiS2. In Bi4O4S3, the transition temperature Tc decreases monotonically without a distinct…
An instability of a diffusive Fermi liquid, indicative of a metal-insulator transition (expected to be of first order), arising solely from the competition between quenched disorder and short-ranged interparticle interactions is identified…
In the present paper we propose a mechanism of the structural instability with a periodic charge ordering in two-dimensional isotropic conductors with a closed Fermi surface which completely excludes the conventional nesting mechanism. We…
We investigate the electronic structure of americium (Am) across its four experimentally confirmed high-pressure phases Am-I (P63/mmc), Am-II (Fm-3m), Am-III (Fddd), and Am-IV (Pnma) up to 100 GPa, using density functional theory combined…
The Fermi surface topology of the shape-memory alloy Ni[0.62]Al[0.38] has been determined using Compton scattering. A large area of this Fermi surface can be made to nest with other areas by translation through a vector of ~ 0.18 [1,1,0]…
Crystal structures of $\textrm{CLi}_4$ compounds are explored through \emph{ab} \emph{initio} evolutionary methodology. Phase transition from metal to semimetal and semiconductor, and eventually to insulator with increasing pressure are…
CaFe2As2 exhibits collapsed tetragonal (cT) structure and varied exotic behavior under pressure at low temperatures that led to debate on linking the structural changes to its exceptional electronic properties like superconductivity,…
Understanding the phase stability of elemental lithium (Li) is crucial for optimizing its performance in lithium-metal battery anodes, yet this seemingly simple metal exhibits complex polymorphism that requires proper accounting for quantum…
Whether the pairing mechanism for superconductivity in iron-based superconductors is of itinerant or local character is a question still debated on. In order to investigate the influence of Fermi surface nesting, we calculate from…
The highest superconducting temperature T$_c$ observed in any elemental metal (Li with T$_c$ ~ 20 K at pressure P ~ 40 GPa) is shown to arise from critical (formally divergent) electron-phonon coupling to the transverse T$_1$ phonon branch…
The emergence of the Pomeranchuk instability (PI) in a Helical Fermi liquid (HFL) residing on the surface of a three-dimensional topological insulator (3D TI) is addressed at the mean-field level. An expression for the PI condition is…
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…
The simple alkali metal Na, that crystallizes in a body-centred cubic structure at ambient pressure, exhibits a wealth of complex phases at extreme conditions as found by experimental studies. The analysis of the mechanism of stabilization…
High pressure synthesis of rhenium nitride pernitride ReN$_2$ with crystal structure unusual for transition metal dinitrides and high values of hardness and bulk modulus attracted significant attention to this system. We investigate the…