相关论文: Anomalous Lattice Behavior of Vanadium Pentaoxide …
We have investigated anomalous lattice behavior of metal organic framework compound AgC8N5on application of pressure and temperature using ab-initio density functional theory calculations. The van der Waals dispersion interactions are found…
High-resolution synchrotron x-ray diffraction measurements were performed on single crystalline and powder samples of BiMn2O5. A linear temperature dependence of the unit cell volume was found between T_{N}=38$ K and 100 K, suggesting that…
Cyanide based framework compounds are known to show large negative thermal expansion behaviour. Here we report the phonon and anomalous lattice behavior of two metal cyanide framework compounds i.e. KMnAg3(CN)6 and KNiAu3(CN)6. We have…
Charge ordering of V4+ and V5+ in NaV2O5 has been studied by an X-ray diffraction technique using anomalous scattering near a vanadium K-absorption edge to critically enhance a contrast between the two ions. A dramatic energy dependence of…
We present a joint theoretical and experimental investigation of the electronic and optical properties of vanadium pentoxide. Electron energy-loss spectroscopy in transmission was employed to measure the momentum-dependent loss function.…
Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…
Vanadium dioxide is of broad interest as a spin-1/2 electron system that realizes a metal-insulator transition near room temperature, due to a combination of strongly correlated and itinerant electron physics. Here, resonant inelastic X-ray…
The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VII, VIII, and H). The negative thermal expansion (NTE)…
We have performed ab-initio lattice dynamics and molecular dynamics studies of Li2X (X=O, S and Se) to understand the ionic conduction in these compounds. The inelastic neutron scattering measurements on Li2O have been performed across its…
Thermal properties of solid-state materials are a fundamental topic of study with important practical implications. For example, anisotropic displacement parameters (ADPs) are routinely used in physics, chemistry, and crystallography to…
A detailed temperature and pressure investigation on BiGdO$_{3}$ is carried out by means of dielectric constant, piezoelectric current, polarization-electric field loop, Raman scattering and x-ray diffraction measurements. Temperature…
Anomalous x-ray diffraction studies show that the charge ordering in $\alpha^\prime$-NaV$_2$O$_5$ is of zig-zag type in all vanadium ladders. We have found that there are two models of the stacking of layers along \emph{c-}direction, each…
Two-dimensional (2D) van der Waals (vdW) ferromagnet Fe$_5$GeTe$_2$ has garnered significant interest due to its high Curie temperature (T$_C$), large saturation magnetization, and complex magnetic behavior arising, in part, from multiple…
We present an X-ray diffuse scattering study of the pretransitional structural fluctuations of the magneto-elastic transition in alpha'-NaV2O5. This transition is characterized by the appearance below Tsp~35K of satellite reflections at the…
We measured electrical resistivity, specific heat and magnetic susceptibility of single crystals of highly conductive oxide Ag_5Pb_2O_6, which has a layered structure containing a Kagome lattice. Both the out-of-plane and in-plane…
We investigate an interesting anisotropic van der Waals material, Ta$_{2}$NiSe$_{5}$, using optical spectroscopy. Ta$_{2}$NiSe$_{5}$ has been known as one of the few excitonic insulators proposed over 50 years ago. Ta$_{2}$NiSe$_{5}$ has…
Anomalous thermal expansion behaviour of several open frame-work compounds has been extensively investigated using the techniques of inelastic neutron scattering and lattice dynamics. These compounds involve increasing level of structural…
Optical anisotropy in crystalline solids enables direction-dependent light-matter interactions and underpins a variety of advanced photonic functionalities. In this context, Vanadium dioxide (VO2) represents a prototypical material that…
The S = 1/2 triangular lattice antiferromagnet (TLAF) is a paradigmatic example of frustrated quantum magnetism. An ongoing challenge involves understanding the influence of exchange anisotropy on the collective behavior within such…
Materials that undergo reversible metal-insulator transitions are obvious candidates for new generations of devices. For such potential to be realised, the underlying microscopic mechanisms of such transitions must be fully determined. In…