Preserving stable 100% spin polarization at (111) heterostructures of half-metallic Heusler alloy Co2VGa with semiconductor PbS
作者： Hongpei Han , Wanqiang Hu , G. Y. Gao , K. L. Yao
DOI: 10.1063/1.4759159
关键词: Relaxation (NMR) 、 Spin polarization 、 Condensed matter physics 、 Surface energy 、 Alloy 、 Semiconductor 、 Ab initio quantum chemistry methods 、 Magnetic moment 、 Heterojunction 、 Materials science
摘要: Based on the half-metallicity confirmed experimentally in bulk Heusler alloy Co2VGa, we use first-principles calculations to extend our previous studies Co2VGa (111) surfacial properties interfaces of Co2VGa/PbS heterostructures which four possible interfacial structures are considered between V- and Ga-terminated surfaces S- Pb-terminated PbS. From atomic density states, it is shown that system destroyed at Ga-S Ga-Pb configurations while V-S V-Pb exhibit 100% spin polarization nearly polarization, respectively. Furthermore, structure relaxation calculated adhesion energies indicate configuration most stable among them. In addition, also discuss changes atom magnetic moments interface subinterface layers with respect corresponding values. (C) 2012 American Institute Physics. [http://dx.doi.org/10.1063/1.4759159]
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