Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces

Xiong K; Wang WC; Alshareef HN; Gupta RP; White JB; Gnade BE; Cho KJ

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Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces

机译：Ni / Bi2Te3和Co / Bi2Te3界面的电子结构和稳定性

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We investigate the electronic structures and stability for Ni/Bi2Te3, NiTe/Bi2Te3, Co/Bi2Te3 and CoTe2/Bi2Te3 interfaces by first-principles calculations. It is found that the surface termination strongly affects the band alignment. Ni and Co are found to form Ohmic contacts to Bi2Te3. The interface formation energy for Co/Bi2Te3 interfaces is much lower than that of Ni/Bi2Te3 interfaces. Furthermore, we found that NiTe on Bi2Te3 is more stable than Ni, while the formation energies for Co and CoTe2 on Bi2Te3 are comparable.

机译：我们通过第一性原理计算研究了Ni / Bi2Te3，NiTe / Bi2Te3，Co / Bi2Te3和CoTe2 / Bi2Te3界面的电子结构和稳定性。发现表面终止强烈影响能带对准。发现Ni和Co与Bi2Te3形成欧姆接触。 Co / Bi2Te3界面的界面形成能比Ni / Bi2Te3界面的界面形成能低得多。此外，我们发现Bi2Te3上的NiTe比Ni更稳定，而Bi2Te3上Co和CoTe2的形成能相当。

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来源
《Journal of Physics, D. Applied Physics: A Europhysics Journal》 |2010年第11期|共8页
作者
Xiong K; Wang WC; Alshareef HN; Gupta RP; White JB; Gnade BE; Cho KJ;
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正文语种 eng
中图分类应用物理学;
关键词
structures; stability; calculations;

机译：结构;稳定性;计算;

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Electronic structures and stability of Ni/Bi2Te3 and Co/Bi2Te3 interfaces

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