相关论文: Unsaturated Dinitrogen Difluoride under Pressure: …
We study density profiles in trapped fermionic gases, near Feshbach resonances, at all $T \leq T_c$ and in the near-BEC and unitary regimes. For the latter, we quantify and characterize the generally neglected contribution from noncondensed…
This study employs density functional theory (DFT) and density functional tight-binding theory (DFTB) to determine the adsorption properties of carbon dioxide (CO$_2$), methane (CH$_4$), and dihydrogen (H$_2$) in carbophenes functionalized…
We have investigated the charge dynamics and the nature of many-body interactions in La- and Pr- doped CaFe2As2. From the infrared part of the optical conductivity, we discover that the scattering rate of mobile carriers above 200 K…
We consider S=1/2 antiferromagnetic Heisenberg chains with alternating bonds and quenched disorder, which represents a theoretical model of the compound CuCl_{2x}Br_{2(1-x)}(\gamma-{pic})_2. Using a numerical implementation of the strong…
This is the first study of the effect of pressure on transition metal dichalcogenides intercalated by atoms that order magnetically. Co$_{1/3}$NbS$_2$ is a layered system where the intercalated Co atoms order antiferromagnetically at T$_N$…
Since the recent discoveries, ferroelectric nematics became of upmost interest due to their outstanding ferroelectric properties. In this work, we prepared a series of polar molecules revealing a ferroelectric nematic phase (NF) with a very…
Polycyclic hydrocarbons have received great attention due to their potential role in organic electronics and, for open-shell systems with unpaired electron densities, in spintronics and da-ta storage. However, the intrinsic instability of…
We present electronic structure calculations on layered nickelate oxyfluorides derived from the Ruddlesden-Popper arisotype structure in search of unidentified materials that may host nickelate superconductivity. By performing anion…
Black phosphorus nitrogen (BP-N) is an attractive high-energy-density material. However, high-pressure synthesized BP-N will decompose at low-pressure and cannot be quenched to ambient conditions. Finding a method to stabilize it at 0 GPa…
The appearance of superconductivity at ambient pressures in the undoped iron pnictide parent compound SrFe2As2 is studied experimentally using several techniques and approaches to aid in understanding the nature of this phase. Low…
Large scale atomistic simulations using the reactive force field approach (ReaxFF) are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A new set of parameters for the reactive force field potential…
BaFe$_2$As$_2$ is the parent compound for a family of iron-based high-temperature superconductors as well as a prototypical example of the spin-density wave (SDW) system. In this study, we perform an optical pump-probe study of this…
Mechanical properties of a nanomechanical resonator have a significant impact on the performance of a resonant Nano-electromechanical system (NEMS) device. Here we study the mechanical properties of suspended membranes fabricated out of…
Understanding the transmission of nanoscale forces in the pico-to-nanonewton range is important in polymer physics. While physical approaches have limitations in analyzing the local force distribution in condensed environments, chemical…
We have investigated Vickers hardness and the thermodynamic properties of the recently discovered nanolaminate carbide Ti3SnC2 polymorphs using the first-principles calculations. The chemical bonding shows a combination of covalent, ionic…
The path from the charge density wave antiferromagnet NdNiC$_2$ to a noncentrosymmetric superconductor LaNiC$_2$ has been studied by gradual replacement of Nd by La ions. The evolution of physical properties has been explored by structural,…
The energy losses of ~(0.273-3.334) MeV protons in Lithium Fluoride thin films deposited by vacuum evaporation onto self-supporting Al foils have been measured using the transmission method. The thicknesses of selected and used Lithium…
Magnetization, susceptibility, specific heat, resistivity, neutron and x-ray diffraction have been used to characterize the properties of single crystalline CaFe2-xNixAs2 as a function of Ni doping for x varying from 0 to 0.1. The combined…
Hydrogen-rich compounds have been extensively studied both theoretically and experimentally in the quest for novel high-temperature superconductors. Reports on sulfur-hydride attaining metallicity under pressure and exhibiting…
N-carbophenes are a class of two-dimensional covalent organic frameworks with potential for solid-state gas storage and as 2D topological materials. Previous studies have demonstrated that variations in their bonding, topology, and…