首页|First-Principles Investigation on the Fully Compensated Ferrimagnetic Behavior in Ti2NbSb and TiZrNbSb

First-Principles Investigation on the Fully Compensated Ferrimagnetic Behavior in Ti2NbSb and TiZrNbSb

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The electronic structures of Ti2 NbSb with Hg2CuTi structure and TiZrNbSb with LiMgPdSn structure are investigated using first-principles calculations.The results indicate that Ti2NbSb is a fully compensated ferrimagnetic spin-gapless semiconductor with an energy gap of 0.13eV,and TiZrNbSb is a half-metallic fully compensated ferrimagnet with a half-metallic gap of 0.17eV.For Ti2NbSb,the total energy of the Hg2CuTi structure is 0.62eV/f.u.higher than that of the L21 structure,which is the ground state,and for TiZrNbSb,the total energy of the structure considered in this work is only 0.15eV/f.u.larger than that of the ground state.Thus both of them may be good candidates for spintronic applications.

Lin Feng、Xue-Ying Zhang

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Department of Physics, Taiyuan University of Technology, Taiyuan 030024

国家自然科学基金Natural Science Foundation for Young Scientists of Shanxi Province underNatural Science Foundation for Young Scientists of Shanxi Province underScientific and Technological Innovation Programs of Higher Education Institutions of Shanxi Province under

513011192013021010-1201802023

2019

中国物理快报(英文版)
中国科学院物理研究所,中国物理学会

中国物理快报(英文版)

CSTPCDCSCDSCIEI
影响因子：0.515
ISSN：0256-307X
年,卷(期)：2019.36(6)
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