相关论文: Pressure induced complexity in a lithium monolayer
Accessing the physics of strongly coupled metals in a controlled way is a challenging problem in theoretical condensed matter physics. In this paper, we revisit the possibility of understanding strongly coupled metals through a holographic…
Charge fluctuations in the quasi-one-dimensional material Li0.9Mo6O17 are analyzed based on a multi orbital extended Hubbard model. A charge ordering transition induced by Coulomb repulsion is found with a charge ordering pattern different…
Externally applied pressure impacts the performance of batteries particularly in those undergoing large volume changes, such as lithium metal batteries. In particular, the Li$^+$ electroplating process in large format pouch cells occurs at…
In this review, we present a comprehensive overview of superconductivity in electron-doped metal nitride halides $M$N$X$ ($M$ = Ti, Zr, Hf; $X$ = Cl, Br, I) with layered crystal structure and two-dimensional electronic states. The parent…
We report the pressure study of a doped organic superconductor with Hall coefficient and conductivity measurements. We find that maximally enhanced superconductivity and a non-Fermi liquid appear around a certain pressure where mobile…
The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the…
The standard theory of metals, Fermi liquid theory, hinges on the key assumption that although the electrons interact, the low-energy excitation spectrum stands in a one-to-one correspondence with that of a non-interacting system. In the…
We report intrinsic ferromagnetism in monolayer electrides or electrenes, in which excess electrons act as anions. Our first-principles calculations demonstrate that magnetism in such electron-rich two-dimensional (2D) materials originates…
By treating the electron-ion interaction as perturbation in the first-principles Hamiltonian, we have calculated the density response functions of a fluid alkali metal to find an interesting charge instability due to anomalous electronic…
We describe the behavior of a system of fermionic atoms loaded in a bipartite one-dimensional optical lattice that is under the action of an external time-periodic driving force. By using Floquet theory, an effective model with renormalized…
We calculated the superconductivity properties of alkali metals under high pressure using the results of band theory and the rigid-muffin-tin theory of Gaspari and Gyorffy. Our results suggest that at high pressures Lithium, Potassium,…
We investigate the magnetotransport properties of a diluted half-filled one-band Hubbard model with second-nearest-neighbor hopping on a simple cubic lattice, aiming to explore the possibility of metallicity in diluted antiferromagnetic…
The energy landscape of helium-nitrogen mixtures is explored by ab initio evolutionary searches, which predicted several stable helium-nitrogen compounds in the pressure range from 25 to 100 GPa. In particular, the monoclinic structure of…
We study long-range morphological changes in atomic monolayers on solid substrates induced by different types of defects; e.g., by monoatomic steps in the surface, or by the tip of an atomic force microscope (AFM), placed at some distance…
The extended Hubbard Hamiltonian on a bcc lattice is studied at half-filling and for a finite hopping between next-nearest-neighbours, in mean-field approximation. An ionic insulating broken-symmetry phase is predicted for any hydrogenoid…
Two-dimensional materials and their heterostructures have opened up new possibilities for magnetism at the nanoscale. In this study, we utilize first-principles simulations to investigate the structural, electronic, and magnetic properties…
All-solid-state batteries are expected to enable batteries with high energy density with the use of lithium metal anodes. Although solid electrolytes are believed to be mechanically strong enough to prevent lithium dendrites from…
The electronic structural properties in the presence of constrained magnetization and a charged background are studied for a monolayer of FeSe in non-magnetic, checkerboard-, and striped-antiferromagnetic (AFM) spin configurations. First…
We search for marginal Fermi-liquid behavior in the two-band Hubbard model with one narrow band. We consider the limit of low electron densities in the bands and strong intraband and interband Hubbard interactions. We analyze the influence…
We demonstrate that an applied electric field causes piezoelectric distortion across single molecular monolayers of oligopeptides. We deposited self-assembled monolayers ~1.5 nm high onto smooth gold surfaces. These monolayers exhibit…