相关论文: Pressure induced complexity in a lithium monolayer

Recent experiments on Pd$_{3}$Fe intermetallics [Phys. Rev. Lett. 102, 237202 (2009)] have revealed that the system behaves like a classical invar alloy under high pressure. The experimental pressure-volume relation suggests an anomalous…

Altermagnets (AM) are a recently discovered third class of collinear magnets, distinctly different from conventional ferromagnets (FM) and antiferromagnets (AF). AM have been actively researched in the last few years, but two aspects so far…

The density-of-states at the Fermi energy, $N(E_F)$, is low in doped superconducting semiconductors and high-$T_C$ cuprates. This contrasts with the common view that superconductivity requires a large electron-boson coupling $\lambda$ and…

Density functional theory simulations with conventional (PBE) and hybrid (HSE06) functionals were performed to investigate the structural and electronic properties of MXene monolayers, \ce{Ti_{n+1}C_n} and \ce{Ti_{n+1}N_n} ($n$ = 1--9) with…

Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. However, Li dendrite/whisker formation caused short-circuiting issue and short cycle life have prevented lithium metal from being viably…

We study thermodynamic properties of the doped Hubbard model on the square lattice in the regime of strong charge and spin fluctuations at low temperatures near the metal-to-insulator crossover and obtain results with controlled accuracy…

The phase diagrams of quasi two-dimensional organic superconductors display a plethora of fundamental phenomena associated with strong electron correlations, such as unconventional superconductivity, metal-insulator transitions, frustrated…

Rechargeable lithium, sodium, and aluminum metal-based batteries are among the most versatile platform for high-energy, cost effective electrochemical energy storage. Non-uniform metal deposition and dendrite formation on the negative…

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…

Millisecond crystal relaxation has been used to explain anomalous decay in doped alkali halides. We attribute this slowness to Fermi-Pasta-Ulam solitons. Our model exhibits confinement of mechanical energy released by excitation. Extending…

One of the early triumphs of quantum physics is the explanation why some materials are metallic whereas others are insulating. While a treatment based on single electron states correctly predicts the character of most materials this…

The electronic and the optical properties of metallic nitride (MN) monolayers are studied using a DFT formalism. In most of these monolayers, the electron density of the metallic atoms is much higher than that of the nitride atoms, and…

Understanding the magnetic response of the normal state of the cuprates is considered a key piece in solving the puzzle of their high-temperature superconductivity. The essential physics of these materials is believed to be captured by the…

We study the physics on the paramagnetic side of the phase diagram of the cobaltates, $Na_{x}CoO_{2}$, with an implementation of cellular dynamical mean field theory (CDMFT) with the non-crossing approximation (NCA) for the one-band Hubbard…

Elemental rare-earth metals provide a playground for studying novel electron correlation effects and complex magnetism. However, ab initio simulations of these systems remain challenging. Here, we employ fully charge self-consistent density…

Elements of group I in the Periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc types,…

Electrical resistivity measurements have been performed on the iron-based ladder compounds Ba$_{1-x}$Cs$_x$Fe$_2$Se$_3$ ($x$ = 0, 0.25, 0.65, and 1) under high pressure. A cubic anvil press was used up to 8.0 GPa, whereas further higher…

We present a unifying theory for the observed complex structures of the sp-bonded elements under pressure based on nearly free electron picture (NFE). In the intermediate pressure regime the dominant contribution to crystal structure arises…

The discovery of a superconducting dome in the proximity of the magnetic to paramagnetic transition in the electronic phase diagram of MnP as a function of hydrostatic pressure has renewed the interest in the magnetic properties of this…

We investigate the transport properties of a correlated metal within dynamical mean field theory. Canonical Fermi liquid behavior emerges only below a very low temperature scale $T_{FL}$. Surprisingly the quasiparticle scattering rate…