期刊
PHYSICAL REVIEW B
卷 86, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.86.054115
关键词
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资金
- NRF [2009-0079947, 2011-0025237]
- KISTI super-computing center [KSC-2011-C2-36, KSC-2012-C3-09]
- National Research Foundation of Korea [2009-0079947] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
We have investigated the mechanism of stabilizing the simple-cubic (sc) structure in polonium (alpha-Po), based on the phonon dispersion calculations using the first-principles all-electron band method. We have demonstrated that the stable sc structure results from the suppression of the Peierls instability due to the strong spin-orbit coupling (SOC) in alpha-Po. We have also discussed the structural chirality realized in beta-Po, as a consequence of the phonon instability. Further, we have explored the possible superconductivity in alpha-Po, and predicted that it becomes a superconductor with T-c similar to 4 K. The transverse soft phonon mode at q approximate to 2/3 R, which is greatly influenced by the SOC, plays an important role both in the structural stability and the superconductivity in alpha-Po.
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