相关论文: Phase stability of hafnium oxide and zirconium oxi…
Extensive Monte Carlo simulations are carried out to study thermal stability of an infinite standalone silicon sheet. We used the Tersoff potential that has been used with success for silicon at low temperatures. However, the melting…
Silicon together with its native oxide SiO$_2$ was recognized as an outstanding material system for the semiconductor industry in the 1950s. In state-of-the-art device technology, SiO$_2$ is widely used as an insulator in combination with…
The Hf-O system has been modeled by combining existing experimental data and first-principles calculations results through the CALPHAD approach. Special quasirandom structures of $\alpha$ and $\beta$ hafnium were generated to calculate the…
Polycrystalline thin films can be unstable with respect to island formation (agglomeration) through grooving where grain boundaries intersect the free surface and/or thin film-substrate interface. We develop a phase-field model to study the…
On highly oxygen deficient thin films of hafnium oxide (hafnia, HfO$_{2-x}$) contaminated with adsorbates of carbon oxides, the formation of hafnium carbide (HfC$_x$) at the surface during vacuum annealing at temperatures as low as 600…
Thin films of superconducting V$_3$Si were prepared by means of RF sputtering from a compound V$_3$Si target at room temperature onto sapphire and oxide-coated silicon wafers, followed by rapid thermal processing under secondary vacuum. The…
The interaction of hydrogen and metals continues to be industrially relevant and is a critical part of creating and supporting a safety case for nuclear reactor operation. In the present work, we explore hydrogen storage and hydride…
The nucleation mechanisms during solution deposition of organic semiconductor thin films determine the grain morphology and may influence the crystalline packing in some cases. Here, in-situ optical spectromicroscopy in reflection mode is…
Molybdenum oxide films offer a rich variety of properties for diverse applications, but exclusive synthesis of desired phases is a major challenge. Here, we demonstrate that oxygen flow ratio fO2 = [O2]/[Ar+O2] is crucial not only for phase…
The stability and electronic structure of competing silicene phases under in-plane compressive stress, either free-standing or on the ZrB$_2$(0001) surface, has been studied by first-principles calculations. A particular…
We have studied zirconia films on a Rh(111) substrate with thicknesses in the range of 2-10 monolayers (ML) using scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED). Zirconia was deposited using a UHV-compatible…
The behavior as a function of temperature of very thin films (10 to 200 nm) of pentylcyanobiphenyl (5CB) on silicon substrates is reported. In the vicinity of the nematic/isotropic transition we observe a coexistence of two regions of…
Hafnium oxide (HfO2), particularly at low-dimensional scales, exhibits extensive promising applications in ultrahigh density devices like low-power logic and non-volatile memory devices due to its compatibility with current semiconductor…
The possible importance of oxide formation for the catalytic activity of transition metals in heterogenous oxidation catalysis has evoked a lively discussion over the recent years. On the more noble transition metals (like Pd, Pt or Ag) the…
From extreme strain to bending, the possibilities in the manipulation of freestanding films of oxide perovskites bring a novel landscape to their properties and brings them one step closer to their application. It is therefore of great…
Controlling the crystalline structure of Hafnium Zirconate and its epitaxial relationship to a semiconducting electrode has a high technological interest, as ferroelectric materials are key ingredients for emerging electronic devices. Using…
The silicon/silicon dioxide (Si/SiO2) interface plays a crucial role in the performance, cost, and reliability of most modern microelectronic devices, from the basic transistor to flash memory, digital cameras, and solar cells. Today the…
Gold-silica hybrids are appealing in different fields of applications like catalysis, sensors, drug delivery, and biotechnology. In most cases, the morphology and distribution of the hetero-units play significant roles in their functional…
The effect of the film thickness and temperature on structural phase transformations in infinite films of bcc zirconium with (001) crystallographic orientation is studied by the molecular dynamics method with a many-body potential of…
In order to combine silicon technology with the functionality of magnetic systems, a number of ferromagnetic (FM) materials have been suggested for the fabrication of metal/semiconductor heterojunctions. In this work, we present a…