Related papers: Decagonal Sn clathrate on $d$-Al-Ni-Co
Topological crystalline insulators have been recently predicted and observed in rock-salt structure SnSe $\{111\}$ thin films. Previous studies have suggested that the Se-terminated surface of this thin film with hydrogen passivation, has a…
A new mechanism for reactivity of multiply twinned gold nanoparticles resulting from their inherently strained structure provides a further explanation of the surprising catalytic activity of small gold nanoparticles. Atomic defect…
We present a spin density functional theory (DFT) study for semiconducting ScN and Mn-substituted ScN. Their structural and magnetic properties have been investigated using the all electrons augmented spherical wave method (ASW) with a…
Large-area deposition of Aluminium-Scandium-Nitride (Al1-xScxN) thin films with higher Sc content (x) remains challenging due to issues such as abnormal orientation growth, stress control, and the undesired crystal phase. These anomalies…
We have investigated the magnetic Co atoms self-assembled on the ultraflat stanene on Cu(111) substrate by utilizing scanning tunneling microscopy/spectroscopy (STM/STS) in conjunction with density functional theory (DFT). By means of…
Amorphous silicon films prepared by electron beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si…
Thin films of polycrystalline $\beta$-Mn structure CoZn have been grown on thermally oxidized Si substrates by co-sputtering from elemental targets followed by annealing. A range of films grown with variable Co deposition power and fixed Zn…
The crystalline quality and degree of c-axis orientation of hexagonal AlN thin films correlate directly with their functional properties. Therefore, achieving AlN thin films of high crystalline quality and texture is of extraordinary…
Stable structures of layered SnS and SnSe and their associated electronic and vibrational spectra are predicted using first-principles DFT calculations. The calculations show that both materials undergo a phase transformation upon thinning…
In recent years the intermetallic alloys of Fe and Sn have gained significant interest due to a rich variety of magnetic properties present in these materials. The crystal Fe3Sn2 is a frustrated ferromagnet, while the crystallographically…
The magnetocrystalline anisotropy energy E(anis) of free-standing monolayers and thin films of Fe and Ni is determined using two different semi-empirical schemes. Within a tight-binding calculation for the 3d bands alone, we analyze in…
The structure, morphology, and electrical properties of epitaxial a-axis oriented thin films of Nd(0.2)Sr(0.8)MnO(3) are reported for thicknesses 10 nm <= t <= 150 nm. Films were grown with both tensile and compressive strain on various…
While the phenomenon of metal substrate adatom incorporation into molecular overlayers is generally believed to occur in several systems, the experimental evidence for this relies on the interpretation of scanning tunnelling microscopy…
We report using density functional theory (DFT), the ground-state properties of the recently synthesized and characterized Sr$_3$[C$_2$N]$_2$ crystal. The nearly colorless, centrosymmetric Sr$_3$[C$_2$N]$_2$ crystallizes in a monoclinic…
We studied the growth behavior, structural, electronic, and magnetic properties of cobalt nitride (Co-N) thin films deposited using direct current (dc) and high power impulse magnetron sputtering (HiPIMS) processes. The N$_2$ partial gas…
NiO/ZnO heterostructures are grown on c-sapphire substrates using pulsed laser deposition (PLD) technique. X-ray diffraction study shows that the ZnO layer epitaxially grows along [0001]-direction on (0001)sapphire surface as expected.…
A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four,…
Phase-formation of surface alloying by spinodal decomposition has been studied for the first time at an electrified interface. For this aim Zn was electrodeposited on Au(111) from the ionic liquid AlCl3-MBIC (58:42) containing 1 mM Zn(II)…
The electronic structure of Sc1-xVxNy epitaxial films with different alloying concentrations of V are investigated with respect to effects on thermoelectric properties. Band structure calculations on Sc0.75V0.25N indicate that V 3d states…
On-surface metal-organic coordination provides a promising way for synthesizing different two-dimensional lattice structures that have been predicted to possess exotic electronic properties. Using scanning tunneling microscopy (STM) and…