Pressure induced structural phase transition in SnS — An ab initio study
Source abstract
Abstract
The structural behaviour of SnS under pressure has been investigated by first principle density functional calculations of the total energy by the TB-LMTO approach. We find that SnS undergoes a structural phase transition from orthorhombic type to monoclinic type structure around 17 GPa which is in good agreement with the recent experimental study. In addition, the ground state properties are computed and compared with the available results.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Chalcogenide Semiconductor Thin Films · Iron-based superconductors research · Crystal Structures and Properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (20)
Show source-provided references
1. Andersen J S and Morton M O 1945Proc. R. Soc. A184 8310.1098/rspa.1943.0041 ↗
2. Andersen O K 1975Phys. Rev. B12 306010.1103/PhysRevB.12.3060 ↗
3. Andersen O K and Jepsen O 1984Phys. Rev. Lett. 53 257110.1103/PhysRevLett.53.2571 ↗
4. Birch F 1978J. Geophys. Res. 83 125710.1029/JB083iB03p01257 ↗
5. Chandrasekar H R, Humphreys R G, Zwick U and Cardona M 1977Phys. Rev. B14 217710.1103/PhysRevB.15.2177 ↗
6. Ehm L, Knorr K, Dera P, Krimmel A, Bouvier P and Mezouar 2004J. Phys. Cond. Matter 16 354510.1088/0953-8984/16/21/004 ↗
7. Ettema A R H F, de Groot R A, Haas C and Turner T S 1992Phys. Rev. B46 736310.1103/PhysRevB.46.7363 ↗
8. Jepsen O and Andersen O K 1971Solid State Commun. 9 176310.1016/0038-1098(71)90313-9 ↗
9. Kalpana G, Palanivel B, Shammem Banu I B and Rajagopalan M 1997Phys. Rev. B56 353210.1103/PhysRevB.56.3532 ↗
10. Lambrss A P, Geraleas D and Economon N A 1974J. Phys. Chem. Solids 35 53710.1016/S0022-3697(74)80008-9 ↗
11. Nabi Z, Kellen A, Mecabih S, Khalfi A and Benosman N 2003Mater. Sci. Eng. B98 10410.1016/S0921-5107(02)00386-0 ↗
12. Otto A, Ley L, Azoulay J, Grandke T, Eymard R, Braun W and Cardona M 1977Phys. Rev. B16 442910.1103/PhysRevB.16.4429 ↗
13. Parenteau M and Carlone C 1990Phys. Rev. B41 522710.1103/PhysRevB.41.5227 ↗
14. Rajagopalan M and Sundareswari M 2004J. Alloys and Compounds 379 810.1016/j.jallcom.2004.02.011 ↗
15. Shalvoy R B, Fisher G B and Stoles P J 1977Phys. Rev. B15 202110.1103/PhysRevB.15.2021 ↗
16. Subramanian B, Sanjeeviraja C and Jayachandran M 2001Chem. Phys. 71 40
17. Taniguchi M, Johnson R L, Ghijsen L and Caudano R 1980Phys. Rev. B42 3675
18. Trbojevic D, Nikelic P M, Perovic B and Cekic C 1981Appl. Phys. Lett. 38 36210.1063/1.92378 ↗
19. von Barth U and Hedin L 1972J. Phys. C5 1629
20. Yu L M, Degiovanni A, Thiry A, Ghijsen J and Caudano R 1993Phys. Rev. B47 16222