Related papers: Ordering and phonons in Ba$_3$CaNb$_{2}$O$_9$ comp…
We develop in detail a model of the charge order in NbSe$_2$ deriving from a strong electron-phonon coupling dependent on the ingoing and outgoing electron momenta as well as the electronic orbitals scattered between. Including both…
Higher-order phonon scatterings beyond fourth order remain largely unexplored despite their potential importance in strongly anharmonic materials at elevated temperatures. We develop a theoretical formalism for first-principles calculation…
The impact of ordered vacancies on the dynamic stability of perovskites is investigated under the $\textit{ab initio}$ framework with a focus on cubic BaFeO$_{3}$ ($Pm\bar{3}m$) and vacancy-ordered monoclinic BaFeO$_{2.67}$ ($P2_{1}/m$).…
While defects are unavoidable in crystals and often detrimental to material performance, they can be a key ingredient for inducing functionalities when tailored. Here, we demonstrate that an A-site-deficient perovskite Y$_{1/3}$TaO$_3$…
We show theoretically and experimentally that scattered light by thermal phonons inside a second-order nonlinear crystal is the source of additional phase noise observed in Optical Parametric Oscillators. This additional phase noise reduces…
The theory of Raman scattering in half-metals by optical phonons interacting with conduction electrons is developed. We evaluate the effect of electron-phonon interactions at ferromagnetic ordering in terms of the Boltzmann equation for…
ABO3 oxides with the perovskite-related structures are attracting significant interest due to their promising physical and chemical properties for many applications requiring tunable chemistry, including fuel cells, catalysis, and…
The rise of high-entropy oxides as a major functional materials design principle in recent years has prompted us to investigate how compositional disorder affects long-range magnetic ordering in double perovskite oxides. Since ferromagnetic…
We report a Raman scattering study of nematic degrees of freedom in the iron-based superconductor parent compound BaFe$_2$As$_2$ under tunable uniaxial strain. We demonstrate that the polarization resolved arsenic (As) phonon intensity can…
We investigated the temperature ($T=$ 15 $\sim $ 290 K) and the magnetic field ($H=$ 0 $\sim $ 17 T) dependent optical conductivity spectra of a charge/orbital ordered manganite, Nd$_{1/2}$Sr$_{1/2}$MnO$_3$. With variation of $T$ and $H$,…
We report the evolution of the Raman active A_g phonon modes in the charge-ordered manganite Pr_{0.63}Ca_{0.37}MnO_{3} as a function of temperature from 300K to 25K. Our studies reveal that the linewidths of A_g(2) and A_g(4) phonons…
Using ab initio calculations, we have investigated an insulating tetragonally distorted perovskite BaCrO$_3$ with a formal $3d^2$ configuration, the volume of which is apparently substantially enhanced by a strain due to SrTiO$_3$…
Disorder in crystals is rarely random, and instead involves local correlations whose presence and nature are hidden from conventional crystallographic probes. This hidden order can sometimes be controlled, but its importance for physical…
KCrF3 represents another prototypical orbital-ordered perovskite, where Cr2+ possesses the same electronic configuration of 3d4 as that of strongly Jahn-Teller distorted Mn3+ in many CMR manganites. The crystal and magnetic structures of…
A polarization-sensitive optical coherence tomography (PS-OCT) system is able to not only show the structure of samples through the analysis of backscattered light, but is also capable of determining their polarimetric properties. This is…
We have used rotational anisotropic polarized Raman spectroscopy to study the symmetries, the temperature and the doping dependence of the charge ordered state in metallic $(Sr_{1-x}La_{x})_{3}Ir_{2}O_{7}$. Although the Raman probe size is…
Detailed structural measurements were conducted on a new perovskite, ScMnO3, and on orthorhombic LuMnO3. Complementary density functional theory (DFT) calculations were carried out, and predict that ScMnO3 possesses E-phase magnetic order…
For decades, numerous attempts have been made to produce polar oxynitride perovskites, where some of the oxygen are replaced by nitrogen, but a polar ordered oxynitride has never been demonstrated. Caracas and Cohen studied possible ordered…
Anharmonic atomic motions can strongly influence the optoelectronic properties of materials but how these effects are connected to the underlying phonon band structure is not understood well. We investigate how the electronic band gap is…
Anharmonicity and local disorder (polymorphism) are ubiquitous in perovskite physics, inducing various phenomena observed in scattering and spectroscopy experiments. Several of these phenomena still lack interpretation from first-principles…