,Effects of the 3d transition metal doping on the structural, electronic,and magnetic properties of

来源 :Chinese Physics B | 被引量 : 0次 | 上传用户:yulequ
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
First-principles calculations have been performed on the structural, electronic, and magnetic properties of seven 3d transition-metal(TM) impurities(V, Cr, Mn, Fe, Co, Ni, and Cu) doped armchair(5,5) and zigzag(8,0) beryllium oxide nanotubes(BeONTs). The results show that there exists a structural distortion around the 3d TM impurities with respect to the pristine BeONTs. The magnetic moment increases for V- and Cr-doped BeONTs and reaches a maximum for Mn-doped BeONT, and then decreases for Fe-, Co-, Ni-, and Cu-doped BeONTs successively, consistent with the predicted trend of Hund’s rule to maximize the magnetic moments of the doped TM ions. However, the values of the magnetic moments are smaller than the predicted values of Hund’s rule due to the strong hybridization between the 2p orbitals of the near O and Be ions of BeONTs and the 3d orbitals of the TM ions. Furthermore, the V-, Co-, and Ni-doped(5,5) and(8,0) BeONTs with half-metal ferromagnetism and thus 100% spin polarization character are good candidates for spintronic applications. First-principles calculations have been performed on the structural, electronic, and magnetic properties of seven 3d transition-metal (TM) impurities (V, Cr, Mn, Fe, Co, Ni, and Cu) doped armchair The results show that there exists a structural distortion around the 3d TM impurities with respect to the pristine BeONTs. The magnetic moment increases for V- and Cr-doped Beans and reaches a maximum for Mn-doped BeONT, and then decreases for Fe-, Co-, Ni-, and Cu-doped BeONTs successively, consistent with the predicted trend of Hund’s rule to maximize the magnetic moments of the doped ions. However, the values ​​of the magnetic moments are smaller than the predicted values ​​of Hund’s rule due to the strong hybridization between the 2p orbitals of the near O and Be ions of BeONTs and the 3d orbitals of the TM ions. Furthermore, the V-, Co-, and Ni -doped (5,5) and (8,0) Bents with half-metal ferromagnetism and thus 100% spin polarization character are good candidates for spintronic applications.
其他文献
该试验以甜樱桃为试材,研究了施用不同种类和用量的氮肥对甜樱桃幼树以及以不同方式施用不同浓度的多效唑对甜樱桃结果树生长、生理和营养状况的影响,并对日光温室中甜樱桃树
由于地理位置上的遥远性,太平洋东南部至今研究程度仍然较差,了解甚少。例如不了解有关这个地区发生的海洋作用过程与晚新生代在南半球的巨大构造和气候事件的联系等(在这个
本研究以18个金花梨变异单系为试材,并以金花梨(Pyrus Brestchneideri Rehdcv Jinhua)为对照,对其物候期、叶片和果实病情指数、光合效能、果实经济性状等进行了观测和分析;并用18
该文以"秦光"(溶质)和"阿姆肯"(不溶质)两大类型的油桃品种为材料,用GA处理果实,测定了在常温下贮藏的果实的呼吸强度、乙烯释放速率、果肉硬度、膜透性、还原糖、可溶糖、可