Structural and electronic properties of non-magnetic intermetallic YAuX (X = Ge and Si) in hexagonal and cubic phases
Source abstract
Abstract
The structural and electronic properties of non-magnetic intermetallic YAuX (X = Ge and Si) crystallized in hexagonal phase have been investigated using the full potential linearized augmented-plane wave (FP-LAPW) method based on the density functional theory (DFT), within the generalized gradient approximation (GGA). The calculated lattice parameters were in good agreement with experiment. Also, the structural and electronic properties of the non-magnetic half-Heusler YAuPb compound including the artificial YAuX (X = Ge and Si) calculated in cubic phase were determined. It was found that the half-Heusler YAuPb compound presented metallic character. The results showed that YAuGe in cubic phase is a semiconductor whereas the cubic YAuSi is an isolator.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Heusler alloys: electronic and magnetic properties · Topological Materials and Phenomena · 2D Materials and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (35)
Show source-provided references
1. Hoffmann R D and Pöttgen R 2001 Z. Kristallogr. 216 12710.1524/zkri.216.3.127.20327 ↗
2. Pöttgen R and Johrendt D 2000 Chem. Mater. 12 87510.1021/cm991183v ↗
3. Dhar S K, Nabudripad N and Vijayaraghavan R 1988 J. Phys. F: Met. Phys. 18 L4110.1088/0305-4608/18/3/004 ↗
4. Karla I, Pierre J and Ouladdiaf B 1998 Physica B 253 21510.1016/S0921-4526(98)00394-9 ↗
5. Fuji H, Uwatoko Y, Akayama M, Satoh K, Maeno Y, Fujita T, Sakurai J, Kanimura H and Okamoto T 1987 Jpn. J. Appl. Phys. (Suppl.) 26 54910.7567/JJAPS.26S3.549 ↗
6. Slebarski A, Glogowski W, Jezierski A, Czopnik A and Zygmunt A 2004 Phys. Rev. B 70 18442910.1103/PhysRevB.70.184429 ↗
7. Adroja D T, Malik S K, Padalia S N, Walia R and Vijayaraghavan 1990, Phys. Rev. B 42 270010.1103/PhysRevB.42.2700 ↗
8. Canepa F and Cirafici S 1996 J. Alloys Compd. 232 7110.1016/0925-8388(95)01987-1 ↗
9. Cirafici S, Palenzona and Canepa 1985, J. Less-Common Met. 107 17910.1016/0022-5088(85)90253-X ↗
10. Felser C, Cramm S, Johrendt D, Mewis A, Jepsen O, Hohlneicher G, Eberhardt W and Andersen O K 1997 , Europhys. Lett. 40 8510.1209/epl/i1997-00428-0 ↗
11. Ksenofontov V, Kandpal Hem C, Ensling J, Waldeck M, Johrendt D, Mewis A, Gütlich P and Felser C 2006 Europhys. Lett. 74 67210.1209/epl/i2005-10563-6 ↗
12. Takabatake T, Nakazawa Y and Ishikawa 1987, Jpn. J. Appl. Phys. (Suppl.) 26 54710.7567/JJAPS.26S3.547 ↗
13. Pierre J, Karla I and Kaczmarska K 1999 Physica B 259 84510.1016/S0921-4526(98)00641-3 ↗
14. Malik S K, Takeya H and Gschneider K A 1993 J. Phys. Rev. B 48 985810.1103/PhysRevB.48.9858 ↗
15. Baran S, Leciejewicz J, Hofmann P and Szytula A 1998 J. Alloys Compd. 275 54110.1016/S0925-8388(98)00387-9 ↗
16. Baran S, Leciejewicz J, Stüsser M, Szytula A and Tomkowicz Z 1997 Solid State Commun. 101 63110.1016/S0038-1098(96)00641-2 ↗
17. Baran S, Leciejewicz J, Stüsser M, Szytula A, Zygmunt A and Ivanov V 1996 J. Phys.: Condens. Matter. 8 8397
18. Fornasini M L, Iandelli A and Pani M 1992 J. Alloys Compd. 187 24310.1016/0925-8388(92)90538-K ↗
19. Schnelle W, Pöttgen R, Kremer R KGmelin E and Jepsen O 1997 J. Phys.: Condens. Matter 9 1435
20. Lin H, Andrew Wray L, Xia Y, Xu S, Jia S, Cava R J, Bansil A and Hasan M Z 2010 Nat. Mater. 9 54610.1038/nmat2771 ↗
21. Zhang H, Liu C X, Qi X L, Dai X, Fang Z and Zhang S C 2009 Nat. Phys. 5 43810.1038/nphys1270 ↗
22. Qi X L and Zhang S C 2010 Phys. Today 63 33
23. Moore J E 2010 Nature 464 19410.1038/nature08916 ↗
24. Hasan M Z and Kane C L 2010 Rev. Mod. Phys. 82 304510.1103/RevModPhys.82.3045 ↗
25. Hohenberg P and Kohn W 1964 Phys. Rev. B 64 136
26. Blaha P, Schwarz K, Madsen G K H, Kvasnicka D and Luitz J 2001 WIEN2K, an augmented-plane-wave + local orbitals program for calculating crystal properties (Wien, Austria: Karlheinz Schwarz, Techn.) ISBN 3-9501031-1-2
27. Perdew J P, Burke S and Ernwerhof M 1996 Phys. Rev. Lett. 77 386510.1103/PhysRevLett.77.3865 ↗
28. Rath J and Freeman A J 1975 Phys. Rev. B 11 210910.1103/PhysRevB.11.2109 ↗
29. Murnaghan F D 1944 Proc. Natl. Acad. Sci. USA 30 5390
30. Pöttgen R, Borrmann H, Felser C, Jepsen O, Henn R, Kremer R and Simon K 1996 J. Alloys Compd. 235 17010.1016/0925-8388(95)02069-1 ↗
31. Landelli A 1983 J. Less-Common. Met. 90 123
32. Mungli A, Albinati A and Hewat A W 1984 J. Less-Common. Met. 97 L110.1016/0022-5088(84)90041-9 ↗
33. Marazza R, Rossi D and Ferro R 1988 J. Less-Common. Met. 138 18910.1016/0022-5088(88)90107-5 ↗
34. Al-Sawai W, Lin H, Markiewicz R S, Wray L A, Xia Y, Xu S Y, Hasan M Z and Bansil A 2010 Phys. Rev. B 82 12520810.1103/PhysRevB.82.125208 ↗
35. Tran F and Blaha P 2009 Phys. Rev. Lett. 102 22640110.1103/PhysRevLett.102.226401 ↗