期刊
PHYSICAL REVIEW B
卷 85, 期 2, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.85.024102
关键词
-
资金
- EPSRC
- NERC [NE/H02462X/1]
- EPSRC [EP/C546385/1] Funding Source: UKRI
- NERC [NE/H02462X/1] Funding Source: UKRI
- Engineering and Physical Sciences Research Council [EP/C546385/1] Funding Source: researchfish
- Natural Environment Research Council [NE/H02462X/1] Funding Source: researchfish
We have calculated the lattice contribution to the electrical resistivity of body-centered-cubic iron at ambient pressure and two temperatures, 300 K and 500 K, using density functional theory and the Kubo-Greenwood formula. We performed extensive size and k-point sampling tests by including up to 1024-atom cells and up to 10 k points. The calculated resistivities fall within the range of the experimental estimates at 500 K, and overestimate it by only similar to 5% at 300 K.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据