Full Heusler alloys display a wide range of physical phenomena with potential applications
in different areas. However, researchers still struggle to overcome many limiting factors to …

The structural, electronic, magnetic and mechanical properties of the full Heusler Mn 2 CoGa
have been systematically investigated by first-principles calculations based on density …

Using the first-principles calculation method based on density functional theory, we
developed a new class of Ni 2-based all-d-metal magnetic shape memory alloys (MSMAs) …

The aim of this work is to predict some physical properties of the new type of Heusler alloys.
We perform an ab-initio calculation to determine the structural, electronic, elastic properties …

A new equiatomic quarternary Heusler compound TiZrMnAl has been theoretically
predicted. Two possible structural configurations are considered under the site preference …

The electronic, magnetic, and mechanical properties of the new equiatomic quarternary
Heusler compounds TiZrRuZ (Z= Al, Ga, In) have been studied with the first-principles …

In this study, we have presented a systematic theoretical study about the electronic,
magnetic and structural properties of the full-Heusler compound Fe2CuSi based on first …

Based on the first principle calculations, the atomic site occupations, electronic structures,
magnetic properties and martensitic transformations of all-d-metal heusler alloys Cd 2 MnY …

Site preference of transition metal elements habitually determined by the number of their
valence electrons has been extensively used in the design of the full-Heusler alloys X2YZ. In …