相关论文: Local structure and its implications for the relax…
A ferroelectric material often exhibits a soft transvers optical (TO) phonon mode which governs it phase transition. Charge coupling to this ferroelectric soft mode may further mediate emergent physical properties, including…
We use first-principles calculations to find that in infinite-layer nickelates $R$NiO$_2$, the widely studied tetragonal $P4/mmm$ structure is only dynamically stable for early lanthanide elements $R$ = La-Sm. For late lanthanide elements…
We report our Raman studies of a new lead-free relaxor ferroelectrics, Ba0.85Ca0.15Ti0.9Zr0.1O3 (BCTZO). The Raman modes of BCTZO are compared with those of BaTi0.8Zr0.2O3 (BTZO), and BaTiO3 (BTO). Also, they are compared with the…
We report a molecular dynamics study of ab initio quality of the ferroelectric phase transition in crystalline PbTiO3. We model anharmonicity accurately in terms of potential energy and polarization surfaces trained on density functional…
Structural, magnetization, phonon behavior, and dielectric response of nano-crystalline Gd$_2$CoMnO$_6$ have been presented in this paper. The study shows that the material crystallizes in $\textit{P2$_1$/n}$ phase group of the monoclinic…
BaNi$_2$As$_2$ is a nonmagnetic analogue of the iron pnictide superconductors, and in its tetragonal state exhibits an incommensurate charge-density-wave (IC-CDW) and a sizable elastoresistance. In this work, phonons in BaNi$_2$As$_2$…
Using polarization selective spontaneous Raman scattering, we have investigated the 5$d$ transition metal compound K$_2$ReCl$_6$ which displays a series of structural phase transitions. We observe a violation of the Raman selection rules in…
We study the distribution of the mean radial displacement of charges of a 2D one-component plasma in the thermodynamic limit $N\to\infty$ at finite temperature $\beta>0$. We compute explicitly the large deviation functions showing the…
We study the spectrum of cosmological fluctuations in the D3/D7 brane inflationary universe with particular attention to the parametric excitation of entropy modes during the reheating stage. The same tachyonic instability which renders…
We report on the dynamics of electron spins in n-doped CdTe layers that differs significantly from the expected response derived from the studies dedicated to electron spin relaxation in n-GaAs. At zero magnetic field, the electron spin…
Phonon-derived behaviors are important indicators of novel phenomena in transition metal trihalides, including spin liquid behavior, two-dimensional magnetism, and spin-lattice coupling. However, phonons and their dependence on spin…
From the phase diagram as proposed by Lei et.al., [J. App. Phys 101, 084105 (2007)] a $BaSn_{0.15}Ti_{0.85}O_{3}$ is chosen showing a diffuse phase transition between cubic to rhombohedral (C-R) near room temperature. Dielectric analysis…
Structural phase transitions drive several unconventional phenomena including some illustrious ferroic attributes which are relevant for technological advancements. With this note, we have investigated the structural transition of…
Fluctuations in the cosmic neutrino background are known to produce a phase shift in the acoustic peaks of the cosmic microwave background. It is through the sensitivity to this effect that the recent CMB data has provided a robust…
The phonon spectrum of cubic cadmium metastannate and the crystal structures of its distorted phases were calculated from first principles within the density functional theory. It is shown that the phonon spectrum and the energy spectrum of…
Motivated by the unusual soft mode anomalies in the relaxor ferroelectrics, we present a numerical study of vibrational excitations of a disordered lattice model with chemical order on the nano-scale. We find an Ioffe-Regel crossover in…
We have evaluated the energies required to twist carbon nanotubes (NTs), and investigated the effects of these distortions on their electronic structure and electrical properties. The computed distortion energies are high, indicating that…
The magnetic, thermodynamic and dielectric properties of the $\gamma$ - Fe${_2}$WO${_6}$ system is reported. Crystallizing in the centrosymmetric $Pbcn$ space group, this particular polymorph exhibits a number of different magnetic…
\gamma-softness in atomic nuclei is investigated in the framework of energy density functionals. By mapping constrained microscopic energy surfaces for a set of representative non-axial medium-heavy and heavy nuclei to a Hamiltonian of the…
The effect of spin fluctuations on the $\alpha$ (bcc) - $\gamma$ (fcc) - $\delta$ (bcc) structural phase transitions in iron is investigated with a tight-binding (TB) model. The orthogonal $d$-valent TB model is combined with thermodynamic…