Owing to prospective energy-efficient and environmentally benign applications, organic
ferroelectric materials are useful and necessary alternatives to inorganic ferroelectrics …

Investigation of the adsorption properties croconic acid (CCA) with metal clusters (mC: Ag,
Au and Cu) are reported using DFT method. CCA is found to form stable cluster with …

Inelastic neutron scattering (INS) spectroscopy, contrary to other vibrational spectroscopic
techniques such as infrared or Raman spectroscopies, provides much richer microscopic …

We report on the first experimental results obtained with the recently commissioned IN1-
Lagrange spectrometer, which has replaced the old IN1 Be-filter setup used for studies of …

We describe and assess the performance of a detailed computational description of the high-
resolution TOSCA spectrometer at ISIS using neutron-transport Monte Carlo simulations …

A combined structural, vibrational spectroscopy, and solid-state DFT study of the hydrogen-
bonded complex of bromanilic acid with 2, 6-dimethylpyrazine is reported. The …

Data analysis of Quasi-elastic Neutron Scattering (QENS) experiments often requires
multiple steps involving fitting the elastic and quasi-elastic parts of spectra with several …

First-principles molecular dynamics simulations and neutron-scattering experiments have
been employed to investigate the structure and underlying vibrational motions in croconic …

Complementary structural and vibrational spectroscopy study of bromanilic acid: 2, 3, 5, 6-
tetramethylpyrazine (BrA: TMP) 1: 1 cocrystal is reported. The crystallographic structure was …

A detailed study of the thermal behaviour of atomic motions in the organic ferroelectric
croconic acid is presented in the temperature range 5–300 K. Using high-resolution inelastic …