heusler compound
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Author(s):  
Anita Yadav ◽  
Shailesh Kumar ◽  
Manoharan Muruganathan ◽  
Rakesh Kumar

Abstract In this article, we report detailed theoretical investigations of topological phases in a new non-centrosymmetric half Heusler compound LiAuBi upto a pressure of 30 GPa. It is found that the compound forms into a dynamically stable face centered cubic (FCC) lattice structure of space group F ¯43m (216) at ambient pressure. The compound is topologically non-trivial at ambient pressure, but undergoes a quantum phase transition to trivial topological phase at 23.4 GPa. However, the detailed investigations show a structural phase transition from FCC lattice (space group 216) to a honeycomb lattice (space group 194) at 13 GPa, which is also associated with a non-trivial to trivial topological phase transition. Further investigations show that the compound also carries appreciable thermoelectric properties at ambient pressure. The figure of merit (ZT) increases from 0.21 at room temperature to a maximum value of 0.22 at 500K. The theoretical findings show its potential for practical applications in spintronics as well as thermoelectricity, therefore LiAuBi needs to be synthesized and investigated experimentally for its applications.


2021 ◽  
Vol 134 ◽  
pp. 106047
Author(s):  
Mokhtar Berrahal ◽  
Ali Bentouaf ◽  
Habib Rached ◽  
Rezki Mebsout ◽  
Brahim Aissa

2021 ◽  
pp. 117501
Author(s):  
Leonie Gomell ◽  
Tobias Haeger ◽  
Moritz Roscher ◽  
Hanna Bishara ◽  
Ralf Heiderhoff ◽  
...  

2021 ◽  
pp. 2107526
Author(s):  
Jie Chen ◽  
Hang Li ◽  
Bei Ding ◽  
Peng Chen ◽  
Tengyu Guo ◽  
...  

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