Related papers: Soft Modes at the Stacking Faults in SiC Crystals
6H-SiC (silicon carbide) single crystals containing VSi-VC divacancies are investigated with respect to magnetic and structural properties. We found that an initial increase of structural disorder leads to pronounced ferromagnetic…
Stochastic density functional theory (sDFT) is becoming a valuable tool for studying ground state properties of extended materials. The computational complexity of describing the Kohn-Sham orbitals is replaced by introducing a set of random…
We consider effective field theories (EFTs) of scalar fields with broken Lorentz boosts, which arise by taking the decoupling and flat-space limits of the EFT of inflation, and derive constraints that must be satisfied by the corresponding…
The steady state values of the viscosity and the intrinsic ionic-conductivity of quenched melts are computed, in terms of independently measurable quantities. The frequency dependence of the ac dielectric response is estimated. The…
We present a minimal theory of superconductivity enhancement in ferroelectric-type materials. Simple expressions for the optical mode responsible for the soft mode transition are assumed. A key role is played by the anharmonic phonon…
Si$_{y}$Ge$_{1-x-y}$(C,Sn,Pb)$_{x}$ alloys have attracted significant attention as a route to achieve a direct-gap group-IV semiconductor. Using density functional theory (DFT) - employing local density approximation and hybrid…
There is growing interest in promoting deformation twinning for plasticity in advanced materials, as highly organized twin boundaries are beneficial to better strength-ductility combination in contrast to disordered grain boundaries.…
The theory of epitaxial strain energy is extended beyond the harmonic approximation to account for large film/substrate lattice mismatch. We find that for fcc noble metals (i) directions <001> and <111> soften under tensile biaxial strain…
Dense suspensions of deformable particles can exhibit rich nonequilibrium dynamics arising from complex flow-structure coupling. Using a multi-phase field model, we show that steady shear drives an initially disordered, dense, soft…
Soft polymer-based solid materials can be defined as solid materials with elastic moduli below 1 MPa. In order to obtain such a low modulus while retaining a solid character, all these materials are based on a network of fixed points…
Deep defects in silicon carbide (SiC) possess atom-like electronic, spin and optical properties, making them ideal for quantum-computing and -sensing applications. In these applications, deep defects are often placed within fabricated…
We study the effect of the electron-phonon coupling on vibrational eigenmodes of nano- and micro-mechanical systems made of semiconductors with equivalent energy valleys. We show that the coupling can lead to a strong mode nonlinearity. The…
Voids can limit the life of engineering components. This motivates us to understand local plasticity around voids in a nickel base superalloy combining experiments and simulations. Single crystal samples were deformed in tension with…
We consider a topological insulator (TI) of spherical geometry and numerically investigate the influence of disorder on the density of surface states. To the clean Hamiltonian we add a surface disorder potential of the most general…
The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the…
Inspired by the ubiquity of composite filamentous networks in nature we investigate models of biopolymer networks that consist of interconnected floppy and stiff filaments. Numerical simulations carried out in three dimensions allow us to…
We study the electron-phonon relaxation (dephasing) rate in disordered semiconductors and low-dimensional structures. The relaxation is determined by the interference of electron scattering via the deformation potential and elastic electron…
Extrinsic faulting has been discussed previously within the so called difference method and random walk calculation. In this contribution is revisited under the framework of computational mechanics, which allows to derive expressions for…
In this study, large-scale molecular dynamics simulations with the Vashishta potential and the analytic bond-order potential (ABOP) were performed to investigate the effect of extended defects on the elastic properties of cubic silicon…
The elastic response of the crystalline sheet to the stretching deformation in the form of wrinkles has been extensively investigated. In this work, we extend this fundamental scientific question to the plastic regime by exploring the…