Abstract
Topological nontrivial nature are the latest phases to be discovered in condensed matter physics with insulating bulk band gaps and topologically protected metallic surface states; they are one of the current hot topics because of their unique properties and potential applications. In this paper, we have highlighted a first-principles study of the structural stability and electronic behavior of the Na2AgX (X = As, Sb and Bi) full Heusler compounds, using the Full-Potential Linear Muffin-Tin Orbital (FP-LMTO) method. We have originated that the Hg2CuTi structure is appropriate in all studied materials. The negative values of the calculated formation energies mean that these compounds are energetically stable. The band structure is studied for the two cases relating the existence and the absence of spin-orbital couplings, where all materials are shown to be topologically non-trivial compounds. Spin orbital couplings were noticed to have no significant effect on the electronic properties such as the topological order.
Highlights
Topological nontrivial compounds have earned a great deal of attention [1, 2] as they have become the most important topic in condensed matter physics [2, 3] due to their unusual and exotic electronic properties
With the aim of filling this knowledge gap, we have conducted an investigation on the band topological ordering of some newly Na2AgX (X= As, Sb and Bi) full Heusler alloys, where we study their structural and electronic properties with and without including the spin-orbit coupling effect in our calculations
The second prototype often appearing in the context of Heusler compounds is the Hg2CuTi type structure, which can be derived from the “regular” Heusler type by exchanging the atoms on the 4(c) position with the element occupying the 4(b) position
Summary
Topological nontrivial compounds have earned a great deal of attention [1, 2] as they have become the most important topic in condensed matter physics [2, 3] due to their unusual and exotic electronic properties. It should be emphasized that to the fact that these materials provide a new interesting context which makes it possible to identify and understand the physical consequences of topological properties of momentum-space bands or real-space texture. They provide a tempting prospect of adapting the discovered fundamental advances into important new applications [12]. Interest in them is increasing continuously because of their multifarious properties for spintronic applications [13], optoelectronic [14], superconductivity [15], shape memory [16], giant magneto resistance spin valve (GMR) [17], thermoelectric applications [18], and spin injection to semiconductors [19, 20]
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