Related papers: Piezoelectricity in two-dimensional materials: a c…
Separating out the contributions of different scattering channels in strongly interacting metals is crucial in identifying the mechanisms that govern their properties. While momentum or current relaxation rates can be readily probed via…
We present the derivation and code implementation of a first-principles methodology to calculate the lattice-mediated contributions to the bulk flexoelectric tensor. The approach is based on our recent analytical long-wavelength extension…
We analyse the time-dependence of currents in a 1D Bose gas in an optical lattice. For a 1D system, the stability of currents induced by accelerating the lattice exhibits a broad crossover as a function of the magnitude of the acceleration,…
We study the dynamical stability of elemental two-dimensional (2D) metals from Li to Pb by calculating the phonon band structure from first principles, where 2D structures are assumed to be planer hexagonal, buckled honeycomb, and buckled…
Transition metal dichalcogenides (TMDCs) belong to technologically important compounds. We have explored the structural, elastic, bonding, optoelectronic and some thermo-physical properties of ZrX2 (X = S, Se, Te) TMDCs in details via…
Architected materials that exploit buckling instabilities to reversibly trap energy have been shown to be effective for impact protection. The energy-absorbing capabilities of these architected materials can be enhanced further by…
In this paper, the stability of longitudinal vibrations for transmission problems of two smart-system designs are studied: (i) a serially-connected Elastic-Piezoelectric-Elastic design with a local damping acting only on the piezoelectric…
Optical measurements under externally applied stresses allow us to study the materials' electronic structure by comparing the pressure evolution of optical peaks obtained from experiments and theoretical calculations. We examine the…
The present work is essentially concerned with the development of statistical theory for the low temperature dislocation glide in concentrated solid solutions where atom-sized obstacles impede plastic flow. In connection with such a…
It was recently proposed that the stress state of a material can also be altered via electron or hole doping, a concept termed electronic stress (ES), which is different from the traditional mechanical stress (MS) due to lattice contraction…
Design of novel artificial materials based on ferroelectric perovskites relies on the basic principles of electrostatic coupling and in-plane lattice matching. These rules state that the out-of-plane component of the electric displacement…
Exploring how mechanical strain can modify the magnetic properties of low-dimensional structures is one of the priorities of straintronics, an area in condensed matter physics. It has been proven by calculating the parameters of magnetic…
Compressible lattice gas models are used in material science to understand the coupling between composition and strain in alloys. The seminal work in this field is the 1973 Larch\'{e}-Cahn paper (Acta Metall. 21, 1051-1063). Single-phase…
Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…
We delineated the role of thermally excited ripples on thermal expansion properties of 2D honeycomb materials (free-standing graphene, 2D h-BN, and ML-MoS2), by explicitly carrying out three-dimensional (3D) and two-dimensional (2D)…
Using a modified pseudospin model of NH$_3$CH$_2$COOH$\cdot$H$_2$PO$_3$ ferroelectric taking into account the piezoelectric coupling with strains $\varepsilon_i$, $\varepsilon_4$, $\varepsilon_5$ and $\varepsilon_6$ within Glauber method in…
In a combination of neutron and synchrotron diffraction the lattice constants and expansivities of hydrogenated and deuterated CH4-, CO2-, Xe- (structure type I) and N2-hydrate (structure type II) from 10 K up to the stability limit under…
Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are the elementary building blocks to tailor the material's morphology. While some studies have…
The quantitative knowledge of interface anisotropy in lattice models is a major issue, both for the parametrization of continuum interface models, and for the analysis of experimental observations. In this paper, we focus on the anisotropy…
Two-dimensional (2D) materials exhibit a wide range of remarkable phenomena, many of which owe their existence to the relativistic spin-orbit coupling (SOC) effects. To understand and predict properties of materials containing heavy…