Electronic Structures of Newly Discovered Quasi-One-Dimensional Superconductors A2Mo3As3 (A=K,Rb,Cs).
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| Title: | Electronic Structures of Newly Discovered Quasi-One-Dimensional Superconductors A |
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| Authors: | Yang, Yang1 (AUTHOR), Feng, Shi-Quan1 (AUTHOR), Lu, Hong-Yan2 (AUTHOR), Wang, Wan-Sheng3 (AUTHOR), Chen, Zhen-Ping1 (AUTHOR) feierxide@163.com |
| Source: | Journal of Superconductivity & Novel Magnetism. Aug2019, Vol. 32 Issue 8, p2421-2426. 6p. |
| Subjects: | Electronic structure, Superconductors, Alkali metals, Fermi level, Fermi surfaces, Density of states |
| Abstract: | Electronic structures of the newly discovered quasi-one-dimensional superconductors A2Mo3As3 (A=K, Rb and Cs) are studied through first-principles calculations. We find that the bond lengths within the [Mo6As6]4− chains are robust against the replacement of alkali cations, leading to quite similar electronic structures among the three members. Three bands cross the Fermi level and form two quasi-one-dimensional Fermi surfaces as well as one three dimensional component. The obtained density of states near the Fermi level show great Mo-4d orbitals character, in particular the d z 2 , dxy and d x 2 − y 2 orbitals. Our calculations show that A2Mo3As3 share great similarity in electron properties with extensively studied A2Cr3As3, indicating that A2Mo3As3 are probably another family of unconventional quasi-one-dimensional superconductors. [ABSTRACT FROM AUTHOR] |
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| Database: | Engineering Source |
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| Abstract: | Electronic structures of the newly discovered quasi-one-dimensional superconductors A2Mo3As3 (A=K, Rb and Cs) are studied through first-principles calculations. We find that the bond lengths within the [Mo6As6]4− chains are robust against the replacement of alkali cations, leading to quite similar electronic structures among the three members. Three bands cross the Fermi level and form two quasi-one-dimensional Fermi surfaces as well as one three dimensional component. The obtained density of states near the Fermi level show great Mo-4d orbitals character, in particular the d z 2 , dxy and d x 2 − y 2 orbitals. Our calculations show that A2Mo3As3 share great similarity in electron properties with extensively studied A2Cr3As3, indicating that A2Mo3As3 are probably another family of unconventional quasi-one-dimensional superconductors. [ABSTRACT FROM AUTHOR] |
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| ISSN: | 15571939 |
| DOI: | 10.1007/s10948-019-5054-z |
