Details

Autor(en) / Beteiligte

• Gao, Pengyue
• Su, Chuanxun
• Shao, Sen
• Wang, Sheng
• Liu, Peng
• Liu, Siyu
• Lv, Jian

Titel

Iron-magnesium compounds under high pressure

Ist Teil von

• New journal of chemistry, 2019, Vol.43 (44), p.1743-1747

Ort / Verlag

Cambridge: Royal Society of Chemistry

Erscheinungsjahr

2019

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Magnesium (Mg) and iron (Fe) are almost immiscible under ambient conditions; this makes Mg an unusual candidate to be considered as a main light element in the earth's core; on the other hand, recent studies have shown that a significant amount of Mg can be dissolved in Fe to form Fe-Mg compounds under high pressure as high pressure can sufficiently improve the solubility of Mg in Fe. However, the formation mechanism and structures of the Fe-Mg compounds are still unknown to date. Herein, we proposed a series of unexpected Fe-Mg compounds (FeMg 4 , FeMg 3 , FeMg 2 , Fe 2 Mg 3 , FeMg and Fe 2 Mg) using the CALYPSO structure search method in conjunction with first-principles calculations. The results show that valence electrons of the Mg atoms transfer to the Fe atoms under high pressure, leading to the formation of these Fe-Mg compounds. This study represents a significant step forward in the understanding of binary Fe-Mg compounds. A dynamically and thermodynamically stable Fe-rich compound, Fe 2 Mg, reveals that Mg may be a light element candidate in the earth's inner core.