Related papers: Morphological characterization of Ge ion implanted…

The iron magnetic form factor in SrFe2As2 has been determined by neutron diffraction and by density functional theory (DFT). As noted previously, the magnitude of the calculated moment using DFT is sensitive to the Fe-As distance. However,…

We have studied the modification in the Surface morphology of the Si(100) surfaces after 1.5 MeV Sb implantation. Scanning Probe Microscopy has been utilized to investigate the ion implanted surfaces. We observe the formation of nano-sized…

Deterministic placement of single dopants is essential for scalable quantum devices based on group-V donors in silicon. We demonstrate a non-destructive, high-efficiency method for detecting individual ion implantation events using…

Reflection and implantation of low energy helium (He) ions by tungsten (W) substrate are studied using molecular dynamics (MD) simulations. Motivated by the ITER divertor design, our study considers a range of W substrate temperatures (300…

In Refs. [1,2] we have shown how a combination of modern linear-scaling DFT, together with a subsequent use of large, effective tight-binding Hamiltonians, allows to compute multifractal wave functions yielding the critical properties of…

Using density functional theory (DFT), we investigate mechanical properties of a few 2D metal-organic frameworks (MOFs) and covalent-organic frameworks (COFs) having Dirac and flat bands. These porous materials have become a subject of…

We compute the multifractal spectra associated to local density of states (LDOS) fluctuations due to weak quenched disorder, for a single Dirac fermion in two spatial dimensions. Our results are relevant to the surfaces of Z_2 topological…

We report on the results of an extensive campaign of optical and mechanical characterization of the ion-beam sputtered oxide layers (Ta$_2$O$_5$, TiO$_2$, Ta$_2$O$_5$-TiO$_2$, SiO$_2$) within the high-reflection coatings of the Advanced…

We present a Density Functional Theory (DFT) based study of the structural and magnetic properties of the (001) surface of the semiconducting oxide ZnFe2O4 (spinel structure). The calculations were performed using the DFT based ab initio…

The formation of two-dimensional metal-organic frameworks (MOFs) on an inert surface of a topological insulator (TI) is a pathway to engineer quantum materials with exotic properties. MOFs featuring ferromagnetically coupled metal atoms are…

The incorporation site of Er dopants inserted at high and low concentration (respectively 5 and 0.5 mol %) in nanoparticles of CaF 2 is studied by X-ray Absorption Spectroscopy (XAS) at the Er L III edge. The experimental data are compared…

Multifractal properties of the energy time series of short $\alpha$-helix structures, specifically from a polyalanine family, are investigated through the MF-DFA technique ({\it{multifractal detrended fluctuation analysis}}). Estimates for…

Deterioration of the operation parameters of Al/SiO2/p-type Si surface barrier detector upon irradiation with alpha-particles at room temperature was investigated. As a result of 40-days irradiation with a total fluence of 8*10^9…

We perform detailed numerical simulations of field ion microscopy images of faceted crystals and compare them with experimental observations. In contrast to the case of crystals with a smooth surface, for a faceted topography we find…

The paper reports fabrication of Germanium-on-Insulator (GeOI) wafer by Oxygen ion implantation of an undoped single crystalline Ge wafer of orientation (100). Oxygen ions of energy 200 keV were implanted. The implanted wafer was subjected…

We performed atomic and electron dynamics analysis to study the impact of morphological and thickness changes of a MoS2 system on its tribological properties through a diamond tip. We had considered 4 cases: variable layers (1-4 layers) and…

We present experimental results and numerical Finite Element analysis to describe surface swelling due to the creation of buried graphite-like inclusions in diamond substrates subjected to MeV ion implantation. Numerical predictions are…

The irradiation of SrTiO$_3$ single crystals with swift heavy ions leads to modifications of the surface. The details of the morphology of these modifications depends strongly on the angle of incidence and can be characterized by atomic…

To explore the potential of molecular gas treatment of freshly cut lithium foils in non-electrolyte based passivation of high energy-density Li anodes, density functional theory (DFT) has been used to study the decomposition of molecular…

Ion implantation has been a key technology for the controlled surface modification of materials in microelectronics and generally, for tribology, biocompatibility, corrosion resistance and many more. To form shallow junctions in Ge is a…