Related papers: Origin of complex crystal structures of elements a…
Here, we study the surface electronic structure of 1T-VSe2 by means of angle resolved photoemission spectroscopy and uncover a dispersion-less emission located in the vicinity of the Fermi level. Its crystal momentum dependency reveals that…
We have developed an efficient and reliable methodology for crystal structure prediction, merging ab initio total-energy calculations and a specifically devised evolutionary algorithm. This method allows one to predict the most stable…
The origin of the monoclinic distortion and domain formation in the quasi two-dimensional layer compound NbTe$_2$ is investigated. Angle-resolved photoemission shows that the Fermi surface is pseudogapped over large portions of the…
The electronic structure of the enigmatic iron-based superconductor FeSe has puzzled researchers since spectroscopic probes failed to observe the expected electron pocket at the $Y$ point in the 1-Fe Brillouin zone. It has been speculated…
A number of transition metal hydrides with close-packed metal sublattices of fcc or hcp structures with hydrogen in octahedral interstitial positions were obtained by the high-pressure hydrogen technique described by Ponyatovskii et al,…
In the transition from nuclear matter to finite nuclei, complex finite-size effects which characterise open systems arise, in relation with either the nuclear surface or the bulk. In addition, the non-equilibrium character of the process,…
A wide variety of complex phases in quantum materials are driven by electron-electron interactions, which are enhanced through density of states peaks. A well known example occurs at van Hove singularities where the Fermi surface undergoes…
Recent high pressure work has suggested that elemental barium forms a high pressure self-hosting structure (Ba IV) involving two `types' of barium atom. Uniquely among reported elemental structures it cannot be described by a single…
A theoretical study of the structure formation observed very recently [Phys. Rev. Lett. 90, 128303 (2003)] in binary colloids is presented. In our model solely the dipole-dipole interaction of the particles is considered,…
The iron-based superconductor FeSe has attracted much recent attention because of its simple crystal structure, distinct electronic structure and rich physics exhibited by itself and its derivatives. Determination of its intrinsic…
Lithium, a prototypical simple metal under ambient conditions, has a surprisingly rich phase diagram under pressure, taking up several structures with reduced symmetry, low coordination numbers, and even semiconducting character with…
We investigate structural and dynamical properties of moderately polydisperse emulsions across an extended range of droplet volume fractions phgr, encompassing fluid and glassy states up to jamming. Combining experiments and simulations, we…
Structure-forming systems are ubiquitous in nature, ranging from atoms building molecules to self-assembly of colloidal amphibolic particles. The understanding of the underlying thermodynamics of such systems remains an important problem.…
At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - is altered dramatically. As pressure is applied, the…
The accurate theoretical description of the underlying electronic structures is essential for understanding the superconducting mechanism of iron-based superconductors. Compared to bulk FeSe, the superconducting single-layer FeSe/SrTiO3…
We present an angle-resolved photoemission spectroscopy study of the electronic structure of SnTe, and compare the experimental results to ab initio band structure calculations as well as a simplified tight-binding model of the p-bands. Our…
Many structural materials (metal alloys, polymers, minerals, etc.) are formed by quenching liquids into crystalline solids. This highly non-equilibrium process often leads to polycrystalline growth patterns that are broadly termed…
Ru$_3$Sn$_7$, an intermetallic compound with advanced catalytic properties, exhibits a complex crystal structure and intriguing electronic properties, making it an attractive candidate for investigations under high-pressure (HP). The…
A method of building and investigation of the Fermi surfaces for three-dimensional crystals subjected to a uniform magnetic field is presented. The Hamiltonian of a charged particle in the crystal is treated in the framework of the…
The crystallization of complex, concentrated alloys can result in atomic-level short-range order, composition gradients, and phase separation. These features govern the properties of the resulting alloy. While nucleation and growth in…