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Effects of Strain on the Half-Metallic and Elastic Properties of FeCrTe and CoCrSi with Clb Structure
SPIN ( IF 1.3 ) Pub Date : 2019-07-29 , DOI: 10.1142/s2010324719500188
Moaid K. Hussain 1
Affiliation  

The effects of strain on the half-metallic (HM) and elastic properties of FeCrTe and CoCrSi alloys with Clb structure were calculated using a first-principles calculation. Both compounds showed (HM) property with full spin polarization, and this property can be present when their lattice constants are in the range from 5.18 Å to 5.71 Å for CoCrSi, and 5.25 Å to 6.05 Å for FeCrTe. The calculations of elastic properties show that both compounds are mechanically stable, ductile and hard with varied properties. In addition, calculations of the elastic characteristics for the above ranges for both FeCrTe and CoCrSi alloys showed mechanical stability, therefore, the FeCrTe and CoCrSi alloys are likely to be composed in experimental applications.

中文翻译:

应变对 Clb 结构 FeCrTe 和 CoCrSi 半金属和弹性性能的影响

应变对含 Cl 的 FeCrTe 和 CoCrSi 合金的半金属 (HM) 和弹性性能的影响b结构采用第一性原理计算。两种化合物都表现出完全自旋极化的 (HM) 特性,当它们的晶格常数在 CoCrSi 的 5.18 至 5.71 Å 和 FeCrTe 的 5.25 至 6.05 Å 范围内时,就会出现这种特性。弹性性能的计算表明,这两种化合物都具有机械稳定性、延展性和硬度,并具有不同的性能。此外,对上述范围内 FeCrTe 和 CoCrSi 合金的弹性特性的计算显示出机械稳定性,因此,FeCrTe 和 CoCrSi 合金很可能在实验应用中组成。
更新日期:2019-07-29
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