Mechanical and magneto-opto-electronic investigation of transition metal based fluoro-perovskites: An ab-initio DFT study

The importance of the interface for picosecond spin pumping in antiferromagnet-heavy metal heterostructures

“…On the other hand, a high absorbance in KNiF 3 of cm −1 strongly reduces the laser fluence at the KNiF 3 /Pt when incident from KNiF 3 , and hence we prefer to pump from the Pt side. Constructive interferences in the thin Pt layer result in a high absorbance 42 for KCoF 3 ( 43 and are the refraction indices of KCoF 3 and air, respectively) and for KNiF 3 . An electromagnet is used to apply an external field up to 0.85 Tesla.…”

Investigating the Physical Properties of Thallium-Based Ternary TlXF3 (X = Be, Sr) Fluoroperovskite Compounds for Prospective Applications

“…It possesses a very simple crystalline structure and has great importance and uses in a wide range of fields. The fluoroperovskite compounds have found applications in radiation dosimeters, optical properties, − tunable laser, ferro-electricity, high-temperature super-ionic behavior, semi-conductivity, − anti-ferromagnetism, catalytic activity, piezoelectricity, , and superconducting properties. , A stable structure of perovskite compounds can be formed by taking the transition elements on “A” or “B” sites. − The crystalline structure of an exciting group of fluoroperovskite materials is mechanically stable and possesses exceptional optoelectronic capabilities that range from semiconducting (1–4 eV) to insulating (beyond 4 eV) in nature. − Recently, material scientists have shown a great interest in fluoroperovskite compounds because of their unique desirable properties. − Rehman et al investigated several physical properties of BeMF 3 , M = Ti and V, using GGA within FP-LAPW with a simulation code of WIEN2K . Some unique physical properties of Tl-based fluoroperovskite compounds TlXF 3 (X = Ca, Cd, Hg, and Mg) were reported by Khan et al while using the ab initio method for density functional theory (DFT) calculations .…”

The role of the A monovalent cation in the AVF3 perovskite series. A quantum mechanical investigation

“…More recently, Lee et al 19 and Manivannan et al, 20 provided evidence that KBF 3 crystals (including B = V) have a cubic structure with SG Pm% 3m (221). In the last five years, simulations by Chenine et al on NaMF 3 (where M = V, Co), 21 by Erum et al on KMF 3 (M = V, Fe, Co, and Ni) 22 and by Rashid on NaVF 3 , KVF 3 and RbVF 3 23 have been performed with the cubic structure, probably under the hypothesis that Pm% 3m (221) is the most stable SG. As we will see, and as can be deduced from the above Table 1 Equilibrium lattice parameter (a 0 , in Å), total energy (E t , in E h ) and lowest vibrational wavenumbers (in cm À1 ) at the k points of the first Brillouin zone obtained with a shrinking factor IS = 2, and generated by a commensurate net centered at the origin (k -G = (000)).…”

“…More recently, Lee et al 19 and Manivannan et al , 20 provided evidence that KBF 3 crystals (including B = V) have a cubic structure with SG Pm 3̄ m (221). In the last five years, simulations by Chenine et al on NaMF 3 (where M = V, Co), 21 by Erum et al on KMF 3 (M = V, Fe, Co, and Ni) 22 and by Rashid on NaVF 3 , KVF 3 and RbVF 3 23 have been performed with the cubic structure, probably under the hypothesis that Pm 3̄ m (221) is the most stable SG. As we will see, and as can be deduced from the above discussion, this is in contradiction with the present findings.…”