Related papers: A simple model for vacancy order and disorder in d…
The fundamental problem of phase saturation of electrons in a disordered mesoscopic system at very low temperatures is addressed. The disorder in the medium has both static and dynamic components, the latter being in the form of two-level…
Many systems, including biological tissues and foams, are made of highly packed units having high deformability but low compressibility. At two dimensions, these systems offer natural tesselations of plane with fixed density, in which…
We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…
Recent numerical results [Gonzalez $\textit{et al.}$, Phys. Rev. Lett. $\textbf{122}$, 017201 (2019); Shimada $\textit{et al.}$, J. Phys. Conf. Ser. $\textbf{969}$, 012126 (2018)] point to the existence of a partial-disorder ground state…
The ternary semiconductors NiZrSn and CoZrBi with C1_b crystal structure are introduced by calculating their basic structural, electronic and phononic properties using density functional theory. Both the gradient-corrected PBE functional…
The half-filled attractive Hubbard model exhibits simultaneous charge density wave and superconducting order in its ground state. In this paper we explore the effect of disorder in the site energies on this degeneracy. We find that…
The Fe-vacancy ordering patterns in the superconducting KxFe2-ySe2 and non-superconducting Kx(Fe,Co)2-ySe2 samples have been investigated by electron diffraction and high angle annular dark field scanning transmission electron microscopy.…
Amorphous solids exhibit structural short-range order despite lacking long-range crystalline order, with this structural descriptor found to be important for determining mechanical properties. Nanobeam electron diffraction offers a…
Weakly coupled semiconductor superlattices under dc voltage bias are nonlinear systems with many degrees of freedom whose nonlinearity is due to sequential tunneling of electrons. They may exhibit spontaneous chaos at room temperature and…
The controversy regarding the precise nature of the high-temperature phase of 1T-TiSe2 lasts for decades. It has intensified in recent times when new evidence for the excitonic origin of the low-temperature charge-density wave state started…
High temperature is usually expected to destroy order: as the Gibbs state approaches the infinite-temperature limit, it becomes an equal-weight ensemble over all states and the system is generically disordered. Recent works showed that…
High entropy carbides ceramics with randomly-distributed multiple principal cations have shown high temperature stability, low thermal conductivity, and possible radiation tolerance. While chemical disorder has been shown to suppress…
Realistic, first-principles-based interatomic potentials have been used in molecular dynamics simulations to study the effect of cation composition on the ionic conductivity in the Zr2Y2O7-Y3NbO7 system and to link the dynamical properties…
For a material that is a half-metal, there should exist a range of compositions for half-metallicity. This compositional range can be expressed in terms of electron count and computed. We investigate electronic and magnetic properties of…
Similar effects of metal and boron vacancies on phonon scattering and lattice thermal conductivity ($\kappa_l$) of ZrB$_2$ and HfB$_2$ are reported. These defects challenge the conventional understanding that associates larger impacts to…
In the filled Ga/Ge clathrate, Eu and Sr are off-center in site 2 but Ba is on-center. All three filler atoms (Ba,Eu,Sr) have low temperature Einstein modes; yet only for the Eu and Sr systems is there a large dip in the thermal…
This is the first study of the effect of pressure on transition metal dichalcogenides intercalated by atoms that order magnetically. Co$_{1/3}$NbS$_2$ is a layered system where the intercalated Co atoms order antiferromagnetically at T$_N$…
A quantum integrable system slightly perturbed away from integrability is typically expected to thermalize on timescales of order $\tau\sim \lambda^{-2}$, where $\lambda$ is the perturbation strength. We here study classes of perturbations…
We study prethermal time quasicrystalline (TQC) order in a quasiperiodically driven chain of non-interacting spin-1/2 particles. The drive consists of two parts, switched on and off periodically with frequency $\omega_d$: (i) disordered…
Vacancies play a pivotal role in determining the physical and chemical properties of materials. Introducing vacancies into two-dimensional (2D) materials offers a promising strategy for developing high-performance electrode materials for…