Theory of Structural Phase Transition in Alkali Cyanides

Density‐functional theory for the solid alkali cyanides

synthesis of platinum nanostructures in two phase system

چکیده پلاتین، فلزی نجیب، پایدار و گران قیمت با خاصیت کاتالیزوری زیاد است که کاربرد های صنعتی فراوانی دارد. کمپلکس های پلاتین(ii) به عنوان دارو های ضد سرطان شناخته شدند و در شیمی درمانی بیماران سرطانی کاربرد دارند. خاصیت کاتالیزوری و عملکرد گزینشی پلاتین مستقیماً به اندازه و- شکل ماده ی پلاتینی بستگی دارد. بعضی از نانو ذرات فلزی در سطح مشترک مایع- مایع سنتز شده اند، اما نانو ساختار های پلاتین ب...

Reversible mechanism for spin crossover in transition-metal cyanides

We report the mechanisms for reversible and repeatable spin transition in a Prussian blue analog crystal, KCo[Fe(CN)6], derived from first-principles calculations. The forward and reverse transitions are initiated by metal-to-metal charge transfer, followed by the d-electron rearrangement at the Co center. Further, these transitions are strongly correlated with bond lengths within the crystal l...

Structural phase transition in epitaxial perovskite films

Three different film systems have been systematically investigated to understand the effects of strain and substrate constraint on the phase transitions of perovskite films. In SrTiO3 films, the phase transition temperature Tc was determined by monitoring the superlattice peaks associated with rotations of TiO6 octahedra. It is found that Tc depends on both SrTiO3 film thickness and SrRuO3 buff...

Structural Phase Transition Accompanied by Metal - Insulator Transition in PrRu4P12

A structural phase transition has been found using electron diffraction technique in PrRu4P12 accompanied by a metal insulator (M I) transition (TMI = 60K). Weak superlattice spots appeared at (H, K, L) (H + K + L = 2n + 1; n is an integer) position at a temperature of T = 12 K and 40 K. Above T = 70 K, the spots completely vanished. The space group of the low temperature phase is probably Pm 3...