[16p-B5-1~15] 13.2 Exploratory Materials, Physical Properties, Devices

[16p-B5-10] Exploratory study on the substitutional elements of Mg₂Si so as to evoke negative chemical pressure

〇Yoji Imai¹, Atsushi Yamamoto¹, Tsutomu Iida², Ken-ichi Takarabe³ (1.AIST, 2.Tokyo Univ. Sci., 3.Okayama Univ. Sci.)

Keywords:Mg2Si, chemical pressure

Mg₂Si is attracting attention as one of the eco-friendly thermoelectric semiconductors. Its Seebeck coefficient is expected to be increased by 30-40% when negative pressure is applied under the n-type conduction. We confirmed whether or not the negative pressure can be chemically applied by alloying making use of the 1st-principle calculations.