Related papers: Boundary-induced phase in epitaxial iron layers

Using ab-initio density functional theory we study the role of interstitial hydrogen on the energetics of the phase transformation of iron from bcc to hcp along Bain's pathway. The impurity creates an internal stress field that can be…

Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…

Epitaxial thin films of La0.7Ba0.3MnO3 manganite, deposited using Chemical Solution Deposition technique, were irradiated by 200 MeV Ag+15 ions with a maximum ion dose up to 1x10^12 ions/cm2. Temperature- and magnetic field-dependent…

We report new ground-state structures and phase transitions in $\Sigma$5[001] tilt grain boundaries (GBs) in body-centered cubic (BCC) refractory metals Nb, Ta, Mo, and W. $\Sigma$5 tilt GBs have been extensively investigated over the past…

Solid phase epitaxy is a crystallization technique used to produce high quality thin films. Lateral solid phase epitaxy furthermore enables the realization of non-planar structures, which are interesting, e.g., in the field of spintronics.…

We employ state-of-the-art ab initio simulations within the dynamical mean-field theory to study three likely phases of iron (hexogonal close-packed, hcp, face centered cubic, fcc, and body centered cubic, bcc) at the Earth's core…

We perform density functional calculations to investigate the structure of the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to a…

Materials such as magnetic shape-memory alloys possess an intrinsic coupling between material's magnetisation and mechanical deformation. These materials also undergo structural phase transitions, with phase boundaries separating different…

The twist-grain-boundary (TGB) phases, characterized by a periodic, helical arrangement of blocks made of polar smectic phases, SmAF and SmCF, have been discovered. They have been observed for rod-like molecules with a strong longitudinal…

The existence of a body centered tetragonal phase of Cu has been investigated in this manuscript when the single crystal FCC Cu is subjected to both high pressure and high temperature. The results have been demonstrated through DFT…

We report an isothermal electric field-induced first-order phase transition from Mott-insulator to the metallic state in the epitaxial thin film of V$_2$O$_3$ in the temperature regime below its Mott transition temperature $\approx$ 180 K.…

Magnetic frustration in metallic rare earth lanthanides ($Ln$) with $4f$-electrons is crucial for producing interesting magnetic phases with high magnetic anisotropy where intertwined charge and spin degrees of freedom lead to novel…

We report the growth and properties of epitaxial MgB2 thin films on (0001) Al2O3 substrates. The MgB2 thin films were prepared by depositing boron films via RF magnetron sputtering, followed by a post-deposition anneal at 850C in magnesium…

Multiferroic BiFeO$_3$ (BFO) possesses a rich phase diagram that allows strain tuning of its properties in thin-film form. In particular, at large compressive strain, a supertetragonal (T) phase with giant polarization is stabilized over…

A tetragonal (Bain path) distortion of a metal with an fcc (bcc) ground state will initially cause an increase in energy, but at some point along the Bain path the energy will again decrease until a local minimum is reached. Using a…

The $H$--$T$ phase diagram of UTe$_2$ for magnetic field along the hard $b$ axis contains an unresolved internal boundary near $\mu_0H \sim 14$--15~T, previously inferred from ac susceptibility and transport experiments but lacking…

Combined neutron and x-ray diffraction experiments demonstrate the formation of a low-temperature minority tetragonal phase in Ba$_{0.76}$K$_{0.24}$Fe$_2$As$_2$ in addition to the majority magnetic, orthorhombic phase. A coincident…

We report the growth of high-quality epitaxial MgB2 thin films on (1102) Al2O3 and (001) SrTiO3 substrates by using a pulsed laser deposition technique. The thin films grown on Al2O3 substrates show a Tc of 39 K with a sharp transition…

We have studied the high-pressure iron bcc to hcp phase transition by simultaneous X-ray Magnetic Circular Dichroism (XMCD) and X-ray Absorption Spectroscopy (XAS) with an X-ray dispersive spectrometer. The combination of the two techniques…

Combining density functional theory (DFT) and embedded dynamical mean-field theory (DMFT) methods, we study the metal-insulator transition in $R_2$Ir$_2$O$_7$ ($R$=Y, Eu, Sm, Nd, Pr, and Bi) and the topological nature of the insulating…