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Spin Polarization Properties of Pentagonal PdSe(2) Induced by 3D Transition-Metal Doping: First-Principles Calculations
The electronic structure and spin polarization properties of pentagonal structure PdSe(2) doped with transition metal atoms are studied through first- principles calculations. The theoretical investigations show that the band gap of the PdSe(2) monolayer decreases after introducing Cr, Mn, Fe and Co...
Autores principales: | Zhao, Xiuwen, Qiu, Bin, Hu, Guichao, Yue, Weiwei, Ren, Junfeng, Yuan, Xiaobo |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6266859/ https://www.ncbi.nlm.nih.gov/pubmed/30469387 http://dx.doi.org/10.3390/ma11112339 |
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