Related papers: Ion-Beam Modification of Metastable Gallium Oxide …
Rare earth doping is an effective way to convert chemically stable oxides into multifunctional materials with coupled electronic, optical, and magnetic properties. We present first principles calculations of pristine and Tm3+ doped Ca2SnO4…
Point defects in crystalline materials often occur in multiple charge states. Although many experimental methods to study and explore point defects are available, techniques to explore the non-equilibrium dynamics of the charge states of…
We performed an X-ray diffraction experiment while palladium bulk absorbed and desorbed hydrogen to investigate the behavior of the crystalline lattice during the phase transition between the $\alpha$ phase and $\beta$ phase. Fast growth of…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…
In this work a strategy to grow diamond on $\beta$-Ga$_2$O$_3$ has been presented. The $\zeta$-potential of the $\beta$-Ga$_2$O$_3$ substrate was measured and it was found to be negative with an isoelectric point at pH $\sim$ 4.6. The…
Using ab initio thermodynamics we compile a phase diagram for the surface of Fe3O4(001) as a function of temperature and oxygen pressures. A hitherto ignored polar termination with octahedral iron and oxygen forming a wave-like structure…
We report on the depth dependence and technological limits of the phase transition of the iron rhodium alloy as function of temperature, external magnetic and electric fields in the FeRh/BaTiO3 multiferroic, determined by grazing-incidence…
The growth of two-dimensional epitaxial materials on industrially relevant substrates is critical for enabling their scalable synthesis and integration into next-generation technologies. Here we present a comprehensive study of the…
Structural and optoelectronic properties of {\alpha}, \{beta}, {\gamma} phases of calcium titanate are studied with the implementation of first-principles quantum-chemical calculations in the framework of DFT. When optimizing the geometry,…
The effects of pressure on the crystal structure of the three known polymorphs of magnesium sulfate have been theoretically study by means of DFT calculations up to 45 GPa. We determined that at ambient conditions gamma MgSO4 is an unstable…
High-pressure phase of boron oxide, orthorhombic \b{eta}-B2O3, has been studied in situ by synchrotron X-ray diffraction to 22 GPa and Raman scattering to 46 GPa at room temperature. The bulk modulus of \b{eta}-B2O3 has been found to be…
Holding promising applications in power electronics, the wide band gap material gallium oxide has emerged as a vital alternative to materials like GaN and SiC. The detailed study of phonon modes in $\beta$-Ga$_{2}$O$_{3}$ provides insights…
The core-level and valence band electronic structure of the well-defined near-surface layer of n-GaAs (100) has been studied by synchrotron-based high-resolution photoelectron spectroscopy before and after modification of the layer by an…
We investigate the dynamical phase evolution of Coulomb-focused electrons in strong-field ionization. We diffract the electrons with an ultrashort standing light wave to track their time-dependent phase. Our findings show that low-energy…
Germanium telluride (GeTe), a phase-change material, is known to exhibit four different structural phases: three at room temperature (one amorphous and two crystalline, $\alpha$ and $\gamma$) and one at high temperature (crystalline…
Low-energy ion beam modification was proposed to create graphene on the top of the insulated diamond-like carbon films. In such low-temperature fabrication process the surface of the amorphous carbon could crystallize to graphene as a…
Epitaxial Al/GaAs/Al structures having controlled thickness of high-quality GaAs and pristine interfaces have been fabricated using a wafer-bonding technique. III-V semiconductor/Al structures are grown by molecular beam epitaxy on III-V…
Structural and electronic properties of the alpha- and gamma-phases of cerium sesquisulfide, Ce2S3, are examined by first-principles calculations using the GGA+U extension of density functional theory. The strongly correlated f-electrons of…
Understanding phase transitions between crystalline phases of a material is crucial for both fundamental research and potential applications such as phase-change memory. In this study, we investigate the phase transition between GeSe…
Coatings of (Al1-xVx)2O3, with x ranging from 0 to 1, were deposited by pulsed DC reactive sputter deposition on Si(100) at a temperature of 550 {\deg}C. XRD showed three different crystal structures depending on V-metal fraction in the…