First-Principles Calculations of Uniaxial Strain Effects on Manganese in Silicon

Shin Yabuuchi; Eiji Ohta; Hiroyuki Kageshima

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First-Principles Calculations of Uniaxial Strain Effects on Manganese in Silicon

机译：硅中锰单轴应变效应的第一性原理计算

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Uniaxial strain effects on manganese in silicon are investigated using the first-principles calculations. Manganese doping is shown to enhance the increase rate of vertical strain as a function of lateral strain by ～10%. The formation energy of manganese in silicon decreases by 0.1 eV at a lateral strain of 3.3%. The magnetic moments of manganese remain at 3μ_b being independent of the strain magnitude. These results are found in both substitutional and interstitial tetrahedral manganese. An analysis of detailed calculation results reveals that these properties are realized by the impact of uniaxial strain on the electronic states of manganese.

机译：使用第一性原理计算研究了硅中锰对单轴应变的影响。研究表明，锰掺杂可将垂直应变的增加速率作为横向应变的函数提高〜10％。硅中锰的形成能以3.3％的横向应变降低0.1 eV。锰的磁矩保持在3μb，与应变幅度无关。在置换和填隙四面体锰中均发现了这些结果。对详细计算结果的分析表明，这些特性是通过单轴应变对锰电子态的影响来实现的。

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《Japanese Journal of Applied Physics. Part 1, Regular Papers, Brief Communications & Review Papers》 |2008年第1issue1期|p.26-30|共5页
作者
Shin Yabuuchi; Eiji Ohta; Hiroyuki Kageshima;
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First-Principles Calculations of Uniaxial Strain Effects on Manganese in Silicon

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