Related papers: Interconnection of point defect parameters in soli…
We analyze point defect bulk and surface diffusion near the crystal-vacuum interface and show that bulk diffusion is altered by atomic reactions at the surface-vacuum boundary. A new atomic mechanism for point defect generation and…
Optically active defect centers in diamond are of considerable interest, and ab initio calculations have provided valuable insight into the physics of these systems. Candidate structures for the Xe center in diamond, for which little…
Optical and microwave double resonance techniques are used to obtain the excited state structure of single nitrogen-vacancy centers in diamond. The excited state is an orbital doublet and it is shown that it can be split and associated…
We present some arguments suggesting that the mismatch between Bekenstein- Hawking entropy and the entropy of entanglement for vector fields is due to the same gauge configurations which saturate the contact term in topological…
The configurational entropy is one of the most important thermodynamic quantities characterizing supercooled liquids approaching the glass transition. Despite decades of experimental, theoretical, and computational investigation, a widely…
A recent study [Phys. Rev. B 17 174111 (2022)] has hypothesized the assembly, along a specific type of one-dimensional defects of diamond, of chains of nitrogen-vacancy (NV) centers, potentially enabling the creation of qubit registers via…
We show that the linearized higher derivative gravitational field equations are equivalent to an equilibrium condition on the entanglement entropy of small spherical regions in vacuum. This extends Jacobson's recent derivation of the…
On the basis of the balance equations for energy-momentum, spin, particle and entropy density, an approach is considered which represents a comparatively general framework for special- and general-relativistic continuum thermodynamics. In…
We study in experiment and with computer simulation the free energy and the kinetics of vacancy and interstitial defects in two-dimensional dipolar crystals. The defects appear in different local topologies which we characterize by their…
The recently proposed pair-interaction model is applied to study a series of refractory high entropy alloys. The results demonstrate the simplicity, robustness, and high accuracy of this model in predicting the configuration energies of…
We show that the orientation of nitrogen-vacancy (NV) defects in diamond can be efficiently controlled through chemical vapor deposition (CVD) growth on a (111)-oriented diamond substrate. More precisely, we demonstrate that spontaneously…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
The negatively charged nitrogen-vacancy (NV) center is one of the most significant and widely studied defects in diamond that plays a prominent role in quantum technologies. The precise engineering of the location and concentration of NV…
A comprehensive literature review on recently rediscovered Co- and/or CoNi-based superalloys, strengthened by the {\gamma}' phase, revealed a relationship between the configurational entropy of the system and the {\gamma}' solvus…
We formulate a model for a point defect embedded in a homogeneous multilattice crystal with an empirical interatomic potential interaction. Under a natural, phonon stability assumption we quantify the decay of the long-range elastic fields…
We use numerical simulations and an effective-medium theory to study the rigidity percolation transition of the honeycomb and diamond lattices when weak bond-bending forces are included. We use a rotationally invariant bond-bending…
The enthalpy of mixing in the liquid phase is a thermodynamic property reflecting interactions between elements that is key to predict phase transformations. Widely used models exist to predict it, but they have never been systematically…
The quasiparticle bands of diamond, a prototype covalent insulator, are herein studied by means of wave-function electronic-structure theory, with emphasis on the nature of the correlation hole around a bare particle. Short-range…
Based on a reconsideration of the Gibbs paradox, we show that a residual, non-extensive term in entropy turns up upon mixing identical particles, whether they are indistinguishable or not. The positive contribution from this residual…
Gravitational and hydrodynamical perturbations are analysed in a relativistic plasma containing a mixture of interacting fluids characterized by a non-negligible bulk viscosity coefficient. The energy-momentum transfer between the…