The introduction of magnetism in SnTe-class topological crystalline insulators is a challenging subject with great importance in the quantum device applications. Based on the first-principles calculations, we have stu...The introduction of magnetism in SnTe-class topological crystalline insulators is a challenging subject with great importance in the quantum device applications. Based on the first-principles calculations, we have studied the defect energetics and magnetic properties of 3d transition-metal(TM)-doped SnTe. We find that the doped TM atoms prefer to stay in the neutral states and have comparatively high formation energies, suggesting that the uniform TMdoping in SnTe with a higher concentration will be difficult unless clustering. In the dilute doping regime, all the magnetic TMatoms are in the high-spin states, indicating that the spin splitting energy of 3d TM is stronger than the crystal splitting energy of the SnTe ligand. Importantly, Mn-doped SnTe has relatively low defect formation energy, largest local magnetic moment, and no defect levels in the bulk gap, suggesting that Mn is a promising magnetic dopant to realize the magnetic order for the theoretically-proposed large-Chern-number quantum anomalous Hall effect(QAHE) in SnTe.展开更多
Recently, 5d transition metal iridates have been reported as promising materials for the manttfacture of exotic quan- tum states. Apart from the semimetallic ground states that have been observed, perovskite SrlrO3 is...Recently, 5d transition metal iridates have been reported as promising materials for the manttfacture of exotic quan- tum states. Apart from the semimetallic ground states that have been observed, perovskite SrlrO3 is also predicted to have a lattice-symmetrically protected topological state in the （110） plane due to its strong： spin-orbil coupling and electron correlation. Compared with non-polar （001）-SflrO3, the especial polarity of （110）-SrIrC）3 undoubtedly adds the： difficulty of fabrication and largely impedes the research on its surface states. Here, we have successfully synthesized high-quality （110）-SflrO3 thin films on （110）-SrTiO3 substrates by reactive molecular beam epitaxy fi^r the first time. Both reflec- tion high-energy electron diffraction pattems and x-ray diffraction measurements suggest the expected orientation and outstanding crystallinity. A （1 × 2） surface reconstruction driven from the surface instabiJity, the. same as that reported in （110）-SrTiO3, is observed. The electric transport measurements uncover that （110）-SrIrO3 exhibits a more prominent semimetallic property in comparison to （001）-SrIrO3.展开更多
基金supported by the National Key Research and Development Program,the National Natural Science Foundation of China(Grant Nos.11334006 and 11504015)the Open Research Fund Program of the State Key Laboratory of Low-dimensional Quantum Physics(Grant No.KF201508)
文摘The introduction of magnetism in SnTe-class topological crystalline insulators is a challenging subject with great importance in the quantum device applications. Based on the first-principles calculations, we have studied the defect energetics and magnetic properties of 3d transition-metal(TM)-doped SnTe. We find that the doped TM atoms prefer to stay in the neutral states and have comparatively high formation energies, suggesting that the uniform TMdoping in SnTe with a higher concentration will be difficult unless clustering. In the dilute doping regime, all the magnetic TMatoms are in the high-spin states, indicating that the spin splitting energy of 3d TM is stronger than the crystal splitting energy of the SnTe ligand. Importantly, Mn-doped SnTe has relatively low defect formation energy, largest local magnetic moment, and no defect levels in the bulk gap, suggesting that Mn is a promising magnetic dopant to realize the magnetic order for the theoretically-proposed large-Chern-number quantum anomalous Hall effect(QAHE) in SnTe.
基金Project supported by the National Key Research and Development Program of the MOST of China(Grant No.2016YFA0300204)the National Key Basic Research Program of China(Grant No.2015CB654901)+2 种基金the National Natural Science Foundation of China(Grant Nos.11574337,11227902,11474147,and11704394)Shanghai Sailing Program(Grant No.17YF1422900)the Award for Outstanding Member in Youth Innovation Promotion Association of the Chinese Academy of Sciences
文摘Recently, 5d transition metal iridates have been reported as promising materials for the manttfacture of exotic quan- tum states. Apart from the semimetallic ground states that have been observed, perovskite SrlrO3 is also predicted to have a lattice-symmetrically protected topological state in the （110） plane due to its strong： spin-orbil coupling and electron correlation. Compared with non-polar （001）-SflrO3, the especial polarity of （110）-SrIrC）3 undoubtedly adds the： difficulty of fabrication and largely impedes the research on its surface states. Here, we have successfully synthesized high-quality （110）-SflrO3 thin films on （110）-SrTiO3 substrates by reactive molecular beam epitaxy fi^r the first time. Both reflec- tion high-energy electron diffraction pattems and x-ray diffraction measurements suggest the expected orientation and outstanding crystallinity. A （1 × 2） surface reconstruction driven from the surface instabiJity, the. same as that reported in （110）-SrTiO3, is observed. The electric transport measurements uncover that （110）-SrIrO3 exhibits a more prominent semimetallic property in comparison to （001）-SrIrO3.
