相关论文: Elastic Tensor of Sr$_2$RuO$_4$
Fully converged calculations of deuteron-deuteron elastic scattering observables are performed at energies above three- and four-body breakup threshold. Differential cross sections and analyzing powers are obtained using realistic…
The surfaces generated by cleaving non-polar, two-dimensional oxides are often considered to be perfect or ideal. However, single particle spectroscopies on Sr2RuO4, an archetypal non-polar two dimensional oxide, show significant cleavage…
In order to understand the unexpected superconducting behavior of MgB$_2$ compound we have made electronic structure calculations for MgB$_2$ and closely related systems. Our calculated Debye temperature from the elastic properties indicate…
Elastic properties play an important role in neutron stars and white dwarfs. They are crucial for modeling stellar oscillations and different processes in magnetars and in degenerate stars which enter compact binary systems. Using…
We have investigated the structural, electronic, mechanical, phononic, and superconducting properties of the Zr$_2$Ir compound with a body-centered tetragonal crystal structure using first-principles calculations. Our analysis reveals that…
We use molecular dynamics to study the vibrations of a thermally fluctuating two-dimensional elastic membrane clamped at both ends. We directly extract the eigenmodes from resonant peaks in the frequency domain of the time-dependent height…
Self-consistent approach for interacting phonons description in lattice, which generalized Debye model, is proposed. Notion of "self-consistent" phonons is introduced, speed of which depends on temperature and is determined from non-linear…
The elastic constant tensors for the hcp phases of three transition metals (Co, Re, and Fe) are computed as functions of pressure using the Linearized Augmented Plane Wave method with both the local density and generalized gradient…
Here we report the first-principle FLAPW-GGA calculations of the elastic properties of two related phases, namely, the ternary arsenide SrFe2As2 and the quaternary oxyarsenide LaOFeAs as the basic phases for the newly discovered "1111" and…
Third-order elasticity (TOE) theory is predictive of strain-induced changes in second-order elastic coefficients (SOECs) and can model elastic wave propagation in stressed media. Although third-order elastic tensors have been determined…
It is shown that the properties of the superconductivity observed in Sr$_2$RuO$_4$ can be accounted for by properly taking into account the internal degrees of freedom of the system. The electrons are strongly correlated in the RuO$_2$…
In linear elastic theory, membrane deformation energy caused by inclusions (e.g., membrane-spanning peptides in lipid bilayers) can be rigorously presented in terms of coupled harmonic oscillators. The general expressions for the…
The structural, electronic, elastic and optical properties of tetragonal (P4mm) phase of Pb0.5Sn0.5TiO3 (PSTO) and Pb0.5Sn0.5Ti0.5(Zr0.5)O3 (PSTZO) are examined by first-principles calculations based on the density functional theory (DFT)…
We report the first-principle FLAPW-GGA calculations of the elastic properties of two related layered phases, namely, the ternary arsenide SrFe2As2 and the quaternary oxyarsenide LaFeAsO - basic phases for the newly discovered "122" and…
This study employs resonant ultrasound spectroscopy (RUS) to investigate the elastic properties of single crystalline KH$_{2}$PO$_{4}$ (KDP) through the paraelectric to ferroelectric phase transition. Noteworthy anomalies are observed in…
We have investigated the structural and dielectric properties of Sr$_{2}$TiO$_{4}$,the first member of the Sr$_{n+1}$Ti$_{n}$O$_{3n+1}$ Ruddlesden-Popper series, within density functional theory. Motivated by recent work in which thin films…
Applying time differential perturbed angular correlation (TDPAC) spectroscopy and \emph{ab initio} calculations, we have investigated possible lattice instabilities in Sr$_{2}$RuO$_{4}$ by studying the electric quadrupole interaction of a…
Td-WTe2 is a topological Weyl semimetal. WTe2 in the orthorhombic structure is stable at room temperature. Elastic, electronic, bonding, and optoelectronic properties of WTe2 have been investigated in detail in this work using the density…
Strontium ruthenate (Sr$_2$RuO$_4$) is a multiband superconductor that displays evidence of topological superconductivity, although a model of the order parameter that is consistent with all experiments remains elusive. We integrated a…
An anisotropic elasticity tensor can be approximated by the closest tensor belonging to a higher symmetry class. The closeness of tensors depends on the choice of a criterion. We compare the closest isotropic tensors obtained using four…