Ultrahigh temperature shape memory alloys (UHT-SMAs) have transition temperatures
above 600° C. They are needed for sensing and actuating devices in aerospace …

Materials made of indium oxide (In2O3) are now being used as a potential component of the
next generation of computers and communication devices. Density functional theory is used …

Despite the increasing importance of ruthenium in numerous technological applications, eg,
catalysis and electronic devices, experimental and computational data on its binary alloys …

In this article, the structural, elastic, electronic, and magnetic characteristics of both regular
and inverse Heusler alloys, Sc2TiAl and Sc2TiSi, were investigated using a full-potential …

We presented the results of various aspects related to structural, elastic, electronic, dynamic,
and magnetic parameters of cubic perovskite CeCrO3 by means of the full-potential …

Making products that are affordable, environmentally friendly, and energy‐efficient is the
main objective of modern production. The objective of this research is to discover …

Using a thorough DFT analysis, this work investigates the electronic, magnetic, elastic, and
optical phenomena in the cubic and orthorhombic phases of SmCrO 3. The study explores …

Martensitic phase transitions in which there is a group–subgroup relationship between the
parent and product structures are driven by combinations of soft-mode and electronic …

We present an unbiased structure search for shape memory alloy NbRu using the particle
swarm optimization algorithms combined with first-principle calculations. Based on our …

We present a systematic study of the structural, elastic, and electronic properties of TM 3 In
(TM= Pd and Pt) intermetallic compounds using density functional theory via a full-potential …