Electronic properties of Mn compounds under strain
Electronic properties of Mn compounds under strain
复制标题
应变下锰化合物的电子特性
DOI：
10.1016/s0927-0256(02)00442-1
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发表时间：
2002
期刊：
影响因子：
--
通讯作者：
A.Baldereschi
中科院分区：
文献类型：
--
作者：
A. Debernardi;M.Peressi;A.Baldereschi
我们用精确的第一性原理赝势计算研究了MnAs在应变下的物理性质。我们的研究结果为在不同晶格不匹配衬底上外延生长的应变多层材料的物理学提供了新的见解，这些材料目前对自旋电子应用很感兴趣。我们计算了结构参数、电子能带、态密度和磁化强度与应变的关系。在易于直接测量的应变/应力区域，对这些物理量的影响是线性的。我们还讨论了单轴应力对电子和磁性能产生相当大的非线性影响的情况。
We study the physical properties of MnAs under strain by using accurate first-principles pseudopotential calculations. Our results provide new insight on the physics of strained multilayer that are grown epitaxially on different lattice mismatched substrates and which are presently of interest for spintronic applications. We compute the strain dependence of the structural parameters, electronic bands, density of states and magnetization. In the region of strain/stress that is easily directly accessible to measurements, the effects on these physical quantities are linear. We also address the case of uniaxial stress inducing sizeable and strongly non linear effects on electronic and magnetic properties.