Half-metallicity and magnetism of the full-Heusler compounds KYX₂ (Y=Ti, V, and Cr; X=C, N, and O)

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• 作者：M. Dehghanzadeh ; F. Ahmadian ; ^{farzad.ahmadian@gmail.com} ; ^{ahmadian@iaush.ac.ir}
• 关键词：A. Half-metals ; A. Heusler alloys ; D. Magnetic properties ; D. Electronic properties
• 刊名：Solid State Communications
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：251
• 期：Complete
• 页码：50-59
• 全文大小：1684 K
• 卷排序：251

文摘

The KTiO2, KVO2, and KCrO2 compounds are half-metals at their equilibrium volumes. KVO2 in AlCu2Mn-type structure is a ferromagnetic semiconductor. Half-metallicty mainly originated from the hybridization between O p and Y d states. The Mtot of HM KYO2 compounds obey the slater-pauling rule (Mtot= Ztot−12). The KYO2 compounds are robust half-metals in a wide range of lattice constants.