Related papers: Formation of pentagonal atomic chains in BCC Fe na…
We performed density functional theory and tight-binding molecular dynamics calculations to investigate the formation of suspended linear atom chains when stretching gold nanowires along the [110] crystal orientation. We determined that…
Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of <110>/{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used…
Single crystals of tetragonal Fe1.00Se were grown from polycrystalline material by chemical vapor transport reaction at temperatures below 723 K using AlCl3 as transport additive. The plate-shaped single crystals have edge lengths up to 4…
Refractory metals exhibit high strength at high temperature, but often lack ductility. Multiprinciple element alloys such as high entropy alloys offer the potential to improve ductility while maintaining strength, but we don't know…
Rapid and reproducible assembly of aligned nanostructures on a wafer-scale is a crucial, yet one of the most challenging tasks in the incorporation of nanowires into integrated circuits. We present the synthesis of a periodic nanochannel…
We use parametrized linear combination of atomic orbitals calculations to determine the stability, optimum geometry and electronic properties of nanometer-sized capped graphitic cones, called ``nano-horns''. Different nano-horn morphologies…
We investigate the temperature-dependent deposition of nickelocene (NiCp$_2$) molecules on a single crystal Au(111) substrate, revealing distinct adsorption behaviors and structural formations. At low temperatures (4.2 K), individual…
We have studied the effect of thermal effects on the structural and transport response of Ag atomic-size nanowires generated by mechanical elongation. Our study involves both time-resolved atomic resolution transmission electron microscopy…
Single crystalline FeTe$_{0.61}$Se$_{0.39}$ with a sharp superconducting transition at $T_{\textrm{c}} \sim$ 14 K is synthesized via slow furnace cooling followed by low-temperature annealing. The effect of annealing on the chemical and…
We propose an experimental scheme to effectively assemble chains of dipolar gases with an uniform length in a multi-layer system. The obtained dipolar chains can form a chain crystal with the system temperature easily controlled by the…
Linear chains of about 10-13 carbon atoms were predicted to be the most favorable phase on different metal surfaces prior to graphene nucleation. However, unlike the graphene that widely studied both theoretically and experimentally, carbon…
The phase stability of fcc and bcc magnetic binary Fe-Cr, Fe-Ni, Cr-Ni alloys and ternary Fe-Cr-Ni alloys is investigated using a combination of density functional theory (DFT), Cluster Expansion (CE) and Magnetic Cluster Expansion (MCE).…
We report on the structural and magnetic properties of thin Ge(1-x)Mn(x)films grown by molecular beam epitaxy (MBE) on Ge(001) substrates at temperatures (Tg) ranging from 80deg C to 200deg C, with average Mn contents between 1 % and 11 %.…
Much scientific and practical interest is currently focused on the atomic-scale mechanical behaviors of metallic nanocrystals with different crystal structures at room temperature, while the high-temperature plastic deformation in tungsten…
The formation of atomic nanoclusters on suspended graphene sheets have been investigated by employing a Molecular dynamics simulation at finite temperature. Our systematic study is based on temperature dependent Molecular dynamics…
Atomistic simulations were utilized to develop fundamental insights regarding the elongation process starting from ultranarrow graphene nanoribbons (GNRs) and resulting in monatomic carbon chains (MACCs). There are three key findings.…
NaFe$_2$As$_2$ is investigated experimentally using powder x-ray diffraction and Raman spectroscopy at pressures up to 23 GPa at room temperature and using ab-initio calculations. The results reveal a pressure-induced structural…
The development of molecular nanostructures plays a major role in emerging organic electronic applications, as it leads to improved performance and is compatible with our increasing need for miniaturisation. In particular, nanowires have…
The Peierls instability in multi-channel metal nanowires is investigated. Hyperscaling relations are established for the finite-size-, temperature-, and wavevector-scaling of the electronic free energy. It is shown that the softening of…
We have produced persistent currents of ultracold fermionic atoms trapped in a ring, with lifetimes greater than 10 seconds in the strongly-interacting regime. These currents remain stable well into the BCS regime at sufficiently low…