相关论文: Phase transformation in two-dimensional covalent o…
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…
Maxwell lattice metamaterials possess a rich phase space with distinct topological states featuring mechanically polarized edge behaviors and strongly asymmetric acoustic responses. Until now, demonstrations of non-trivial topological…
Imagine that there is a gapless plane tessellated by irregular, convex pentagons with their side lengths at the sub-nanoscale, and tiny balls are placed at the vertices of each pentagon. If there are no interactions among these balls, one…
We report the pressure (p_max = 1.5 GPa) evolution of the crystal structure of the Weyl semimetal T_d-MoTe_2 by means of neutron diffraction experiments. We find that the fundamental non-centrosymmetric structure T_d is fully suppressed and…
We report studies of the phase diagrams of two two-dimensional systems composed of particles with repulsive pair potentials, each of which supports a high-density Kagome lattice phase. The commonalities in the phase diagrams of the systems…
Two-dimensional (2D) materials exhibit a wide range of electronic properties that make them promising candidates for next-generation nanoelectronic devices. Accurate prediction of their quantum transport behavior is therefore of both…
The tunability of covalent organic frameworks (COFs) opens opportunities to engineer topological electronic phases, including topological insulators (TIs) and higher-order topological insulators (HOTIs)--materials that host in-gap states…
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…
Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…
Twisted homobilayer transition metal dichalcogenides - specifically twisted bilayer MoTe$_2$ and twisted bilayer WSe$_2$ - have recently emerged as a versatile platform for strongly correlated and topological phases of matter. These…
Models of exchange-bias in thin films have been able to describe various aspects of this technologically relevant effect. Through appropriate choices of free parameters the modelled hysteresis loops adequately match experiment, and typical…
The urgent need for sustainable and innovative approaches to mitigate the increasing levels of atmospheric CO$_2$ necessitates the development of efficient methods for its removal. In this study, we focus on the synthesis and…
We report an extraordinary pressure dependence of the magnetic interactions in the metal-organic system [(CuF$_2$(H$_2$O)$_2$)$_2$pyrazine]. At zero pressure, this material realizes a quasi-two-dimensional (Q2D) spin-1/2 square-lattice…
Understanding the effect of electric fields on the physical and chemical properties of two-dimensional (2D) nanostructures is instrumental in the design of novel electronic and optoelectronic devices. Several of those properties are…
Twisted graphene multilayers are highly tunable flatband systems for developing new phases of matter. Thus far, while orbital ferromagnetism has been observed in valley polarized phases, the long-range orders of other correlated phases as…
We study the electronic properties of a linear trans-polyacetylene (tPA) molecule capacitively coupled to an external gate voltage $V_g$ of width $d$. We describe this system using the Takayama-Lin-Liu-Maki (TLM) model in the continuum, and…
Confined electrons in low dimensions host desirable material functions for downscaled electronics as well as advanced energy technologies. Thermoelectricity is a most fascinating example, since the dimensionality modifies the electron…
We report high pressure powder synchrotron x-ray diffraction studies on MFe2As2 (M=Ba, Ca) over a range of temperatures and pressures up to about 56 GPa using a membrane diamond anvil cell. A phase transition to a collapsed tetragonal phase…
While graphene oxide (GO) is representative of a disordered phase of oxocarbons with lackluster electronic properties, the coexistence of ordered, stoichiometric solid-state carbon oxides with graphene brings renewed momentum to the…
Recent studies reveal a pressure induced transition from a paramagnetic tetragonal phase (T) to a collapsed tetragonal phase (CT) in $CaFe_2As_2$, which was found to be superconducting with non-hydrostatic pressure at low temperature. We…