Related papers: Frequency estimate for multicomponent crystalline …
Using first principles calculations, the energetic stability of two-dimensional (2D) binary compounds $XY$ is investigated, where $X$ and $Y$ indicate the metallic element from Li to Pb in the periodic table. Here, 1081 compounds in the…
This study focuses on some of the most metal-poor damped Lyman alpha absorbers known in the spectra of high redshift QSOs, using new and archival observations obtained with UV-sensitive echelle spectrographs on the Keck and VLT telescopes.…
Order versus disorder in the structure of materials plays a key role in the theoretical prediction of their properties. However, this structural description appears to be ineffective for new families of materials such as high entropy alloys…
Two-dimensional (2D) antimony, so-called antimonene, can form antimonene oxide when exposed to air. We present different types of single- and few-layer antimony oxide structures, based on density functional theory (DFT) calculations.…
Layered heterostructure materials with two different functional building blocks can teach us about emergent physical properties and phenomena arising from interactions between the layers. We report the intergrowth compounds…
We unravel the existence and stability properties of one-dimensional droplets arising in genuine two-component particle imbalanced bosonic mixtures under the influence of a weak harmonic confinement. A plethora of miscible droplet phases is…
The important phenomenon of "stickiness" of chaotic orbits in low dimensional dynamical systems has been investigated for several decades, in view of its applications to various areas of physics, such as classical and statistical mechanics,…
The intermetallic $\tau_{11}$ Al$_4$Fe$_{1.7}$Si phase is of interest for high-temperature structural application due to its combination of low density and high strength. We determine the crystal structure of the $\tau_{11}$ phase through a…
The atomic distribution in amorphous FeZr alloys is found to be close to random, nevertheless, the composition can not be viewed as being homogenous at the nm-scale. The spatial variation of the local composition is identified as the root…
Based on a successful description of II-VI ternary alloys, which introduces an empirical bowing parameter to the widely used virtual crystal approximation, we set up a tight-binding Hamiltonian to describe the Zn_{1-y}Cd_ySe_{1-x}Te_x and…
Conventional crystalline alloys usually possess a low atomic size difference in order to stabilize its crystalline structure. However, in this article, we report a single phase chemically complex alloy which possesses a large atomic size…
Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In particular, identifying such MECs in multi-component alloys…
We investigate the possible formation of a molecular condensate, which might be, for instance, the analogue of the alpha condensate of nuclear physics, in the context of multicomponent cold atoms fermionic systems. A simple paradigmatic…
We experimentally study collective decay of an extended disordered ensemble of $N$ atoms inside a hollow-core fiber. We observe up to $300$-fold enhanced decay rates, strong optical bursts and a coherent ringing. Due to inhomogeneities…
Strong compositional-dependent elastic properties have been observed theoretically and experimentally in Ti$_{1-x}$Al$_x$ N alloys. The elastic constant, C$_{11}$, changes by more than 50% depending on the Al-content. Increasing the…
We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of…
Lattice parameter, bulk modulus, formation energy and magnetism equilibrium structure in all-d transition metals $Ni_2XMn$ (X=Co,Cr,Fe) for Full and Inverse Heusler structure are studied by first-principles calculations. Tetragonal…
We calculate bending moduli along the principal directions for thirty-two select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically, considering representative materials from each of Groups IV, V, III-V…
The structural, electronic, and optical properties of twelve multicomponent oxides with layered structure, RAMO$_4$, where R$^{3+}$=In or Sc; A$^{3+}$=Al or Ga; and M$^{2+}$=Ca, Cd, Mg, or Zn, are investigated using first-principles density…
We examine the feasibility of a simple description of Mn ions in III-V diluted magnetic semiconductors (DMSs) in terms of two species (components), motivated by the expectation that the Mn-hole exchange couplings are widely distributed,…