Rare-earth intermetallics such as Nd2Fe14B and Sm-Co are widely used as high-performance permanent magnets, because they combine high magnetocrystalline anisotropy with reasonable magnetization and Curie temperature. ...Rare-earth intermetallics such as Nd2Fe14B and Sm-Co are widely used as high-performance permanent magnets, because they combine high magnetocrystalline anisotropy with reasonable magnetization and Curie temperature. The anisotropy is a combined effect of spin-orbit coupling and electrostatic crystal-field interactions. The main contribution comes from the rare-earth 4f electrons, which are well-screened from the crystalline environment but exhibit a strong spin-orbit coupling. In this limit, the magnetocrystalline anisotropy has a very transparent physical interpretation, the anisotropy energy essentially being equal to the energy of Hund＇s-rules 4f ion in the crystal field. The corresponding expression for the lowest-order uniaxial anisotropy constant K1 is used to discuss rare-earth substitutions, which have recently attracted renewed interest due to shifts in the rare-earth production and demand. Specific phenomena reviewed in this article are the enhancement of the anisotropy of Sm2Fe17 due to interstitial nitrogen, the use of Sm-Co magnets for high-temperature applications, and the comparison of rare-earth single-ion anisotropy with other single-ion and two-ion mechanisms.展开更多
We review experimental advances in the study of the electron transport in three-dimensional topo- logical insulators with emphasis on experiments that attempted to identify the surface transport. Recent results on tra...We review experimental advances in the study of the electron transport in three-dimensional topo- logical insulators with emphasis on experiments that attempted to identify the surface transport. Recent results on transport properties of topological insulator thin films will be discussed in the context of weak antilocalization and electron-electron interactions. Current status of gate-voltage control of the chemical potential in topological insulators will also be described.展开更多
The spin-orbit interaction of the 5d electron needs to be taken into account to give the proper energy structure for the 4fN-1 5d configuration of heavy lanthanide ions occupying a site with ligands forming an octahed...The spin-orbit interaction of the 5d electron needs to be taken into account to give the proper energy structure for the 4fN-1 5d configuration of heavy lanthanide ions occupying a site with ligands forming an octahedron. This paper derives theoretical results for the energy structure by treating the t2 orbitals as quasi p orbitals and then using angular-momentum coupling techniques. An analytic expression for the electric dipole absorption line strengths between 4fN multiplets and 4fN- 1 5d states is given in terms of various angular-momentum quantum numbers and re-coupling coefficients. The result is then applied to interpret the excitation spectrum of Cs2NaYF6：Er3＋. Tbe high-spin and lowspin states of Cs2NaYF6：Er3＋ are discussed in terms of the wavefunctions obtained by using the developed theoretical model.展开更多
We investigate the competing effects of spin-orbit coupling and electron--electron interaction on a kagome lattice at 1/3 filling. We apply the cellular dynamical mean-field theory and its real-space extension combine...We investigate the competing effects of spin-orbit coupling and electron--electron interaction on a kagome lattice at 1/3 filling. We apply the cellular dynamical mean-field theory and its real-space extension combined with the continuous time quantum Monte Carlo method, and obtain a phase diagram including the effects of the interaction and the spin-orbit coupling at T = 0. 1t, where T is the temperature and t is the hopping energy. We find that without the spin-orbit coupling, the system is in a semi-metal phase stable against the electron--electron interaction. The presence of the spin-orbit coupling can induce a topological non-trivial gap and drive the system to a topological insulator, and as the interaction increases, a larger spin--orbit coupling is required to reach the topological insulating phase.展开更多
The observed magnetic data for two isosceles tricobalt(II) complexes have been successfully analyzed, considering the axial distortion around each cobalt(II) ion, the local spin-orbit coupling, the anisotropic exchang...The observed magnetic data for two isosceles tricobalt(II) complexes have been successfully analyzed, considering the axial distortion around each cobalt(II) ion, the local spin-orbit coupling, the anisotropic exchange interactions, and the intermolecular exchange interactions. The complexes each contains two types of octahedral high-spin cobalt(II) ions (CoA and CoB) in the shape of an isosceles triangle (CoA1–CoB–CoA2), and the contribution of the orbital angular momentum is significant. The exchange interaction between the CoA and CoB ions is practically negligible (J = ~ 0), whereas the interaction between the CoA1 and CoA2 ions is ferromagnetic (J’ > 0) for both complexes.展开更多
We systematically investigate the phonon dichroism in proximitized graphene with broken time-reversal symmetry.We find that in the absence of any type of spin–orbit coupling,phonon dichroism vanishes.Linear and circu...We systematically investigate the phonon dichroism in proximitized graphene with broken time-reversal symmetry.We find that in the absence of any type of spin–orbit coupling,phonon dichroism vanishes.Linear and circular phonon dichroism occur in the presence of uniform(staggered)intrinsic spin–orbit coupling and ferromagnetic(antiferromagnetic)exchange coupling.All these situations can be distinguished by their specific behaviors of phonon absorption at the transition point.Our finding provides new possibilities to use phonon dichroism to identify the form of spin–orbit coupling and exchange coupling in proximitized graphene on various magnetic substrates.展开更多
We investigate the itinerant ferromagnetism in a dipolar Fermi atomic system with the anisotropic spin–orbit coupling(SOC),which is traditionally explored with isotropic contact interaction.We first study the ferroma...We investigate the itinerant ferromagnetism in a dipolar Fermi atomic system with the anisotropic spin–orbit coupling(SOC),which is traditionally explored with isotropic contact interaction.We first study the ferromagnetism transition boundaries and the properties of the ground states through the density and spin-flip distribution in momentum space,and we find that both the anisotropy and the magnitude of the SOC play an important role in this process.We propose a helpful scheme and a quantum control method which can be applied to conquering the difficulties of previous experimental observation of itinerant ferromagnetism.Our further study reveals that exotic Fermi surfaces and an abnormal phase region can exist in this system by controlling the anisotropy of SOC,which can provide constructive suggestions for the research and the application of a dipolar Fermi gas.Furthermore,we also calculate the ferromagnetism transition temperature and novel distributions in momentum space at finite temperature beyond the ground states from the perspective of experiment.展开更多
A Kramers pair of helical edge states in quantum spin Hall effect （QSHE） is robust against normal dephasing but not robust to spin dephasing. In our work, we provide an effective spin dephasing mechanism in the pudd...A Kramers pair of helical edge states in quantum spin Hall effect （QSHE） is robust against normal dephasing but not robust to spin dephasing. In our work, we provide an effective spin dephasing mechanism in the puddles of two-dimensional （2D） QSHE, which is simulated as quantum dots modeled by 2D massive Dirac Hamiltouian. We demonstrate that the spin dephasing effect can originate from the combination of the Rashba spin-orbit coupling and electron-phonon interaction, which gives rise to inelastic backscattering in edge states within the topological insulator quantum dots, although the time-reversal symmetry is preserved throughout. Finally, we discuss the tunneling between extended helical edge states and local edge states in the QSH quantum dots, which leads to backscattering in the extended edge states. These results can explain the more robust edge transport in InAs/GaSb QSH systems.展开更多
The binding energy spectrum and electron momentum distributions for the outer valence orbitals of n-propyl iodide molecule have been measured using the electron momentum spectrometer employing non-coplanar asymmetric ...The binding energy spectrum and electron momentum distributions for the outer valence orbitals of n-propyl iodide molecule have been measured using the electron momentum spectrometer employing non-coplanar asymmetric geometry at impact energy of 2.5 keV plus binding energy. The ionization bands have been assigned in detail via the high accuracy SACCI general-R method calculation and the experimental momentum profiles are compared with the theoretical ones calculated by Hartree-Fock and B3LYP/aug-cc-pVTZ（C,H）6-311G？？（I）. The spin-orbit coupling effect and intramolecular orbital interaction have been analyzed for the outermost two bands, which are assigned to the iodine 5p lone pairs, using NBO method and non-relativistic as well as relativistic calculations. It is found that both of the interactions will lead to the observed differences in electron momentum distributions. The experimental results agree with the relativistic theoretical momentum profiles, indicating that the spin-orbit coupling effect dominates in n-propyl iodide molecule.展开更多
High-level ab initio calculations of aluminum monoiodide(AlI) molecule are performed by utilizing the multireference configuration interaction plus Davidson correction(MRCI+Q) method. The core-valence correlation(CV) ...High-level ab initio calculations of aluminum monoiodide(AlI) molecule are performed by utilizing the multireference configuration interaction plus Davidson correction(MRCI+Q) method. The core-valence correlation(CV) and spin–orbit coupling(SOC) effect are considered. The adiabatic potential energy curves(PECs) of a total of 13 Λ–S states and 24 ? states are computed. The spectroscopic constants of bound states are determined, which are in accordance with the results of the available experimental and theoretical studies. The interactions between the Λ–S states are analyzed with the aid of the spin–orbit matrix elements. Finally, the transition properties including transition dipole moment(TDM),Frank–Condon factors(FCF) and radiative lifetime are obtained based on the computed PEC. Our study sheds light on the electronic structure and spectroscopy of low-lying electronic states of the AlI molecule.展开更多
基金supported by DOE (DE-FG02-04-ER46152, DJS)NSF-MRSEC (DMR 021-3808, RS)
文摘Rare-earth intermetallics such as Nd2Fe14B and Sm-Co are widely used as high-performance permanent magnets, because they combine high magnetocrystalline anisotropy with reasonable magnetization and Curie temperature. The anisotropy is a combined effect of spin-orbit coupling and electrostatic crystal-field interactions. The main contribution comes from the rare-earth 4f electrons, which are well-screened from the crystalline environment but exhibit a strong spin-orbit coupling. In this limit, the magnetocrystalline anisotropy has a very transparent physical interpretation, the anisotropy energy essentially being equal to the energy of Hund＇s-rules 4f ion in the crystal field. The corresponding expression for the lowest-order uniaxial anisotropy constant K1 is used to discuss rare-earth substitutions, which have recently attracted renewed interest due to shifts in the rare-earth production and demand. Specific phenomena reviewed in this article are the enhancement of the anisotropy of Sm2Fe17 due to interstitial nitrogen, the use of Sm-Co magnets for high-temperature applications, and the comparison of rare-earth single-ion anisotropy with other single-ion and two-ion mechanisms.
文摘We review experimental advances in the study of the electron transport in three-dimensional topo- logical insulators with emphasis on experiments that attempted to identify the surface transport. Recent results on transport properties of topological insulator thin films will be discussed in the context of weak antilocalization and electron-electron interactions. Current status of gate-voltage control of the chemical potential in topological insulators will also be described.
基金supported by the National Natural Science Foundation of China(Grant Nos 10874173 and 10774140)
文摘The spin-orbit interaction of the 5d electron needs to be taken into account to give the proper energy structure for the 4fN-1 5d configuration of heavy lanthanide ions occupying a site with ligands forming an octahedron. This paper derives theoretical results for the energy structure by treating the t2 orbitals as quasi p orbitals and then using angular-momentum coupling techniques. An analytic expression for the electric dipole absorption line strengths between 4fN multiplets and 4fN- 1 5d states is given in terms of various angular-momentum quantum numbers and re-coupling coefficients. The result is then applied to interpret the excitation spectrum of Cs2NaYF6：Er3＋. Tbe high-spin and lowspin states of Cs2NaYF6：Er3＋ are discussed in terms of the wavefunctions obtained by using the developed theoretical model.
基金supported by the National Basic Research Program of China(Grant Nos.2011CB921502 and 2012CB821305)the National Natural ScienceFoundation of China(Grant Nos.61227902,61378017,and 11311120053)
文摘We investigate the competing effects of spin-orbit coupling and electron--electron interaction on a kagome lattice at 1/3 filling. We apply the cellular dynamical mean-field theory and its real-space extension combined with the continuous time quantum Monte Carlo method, and obtain a phase diagram including the effects of the interaction and the spin-orbit coupling at T = 0. 1t, where T is the temperature and t is the hopping energy. We find that without the spin-orbit coupling, the system is in a semi-metal phase stable against the electron--electron interaction. The presence of the spin-orbit coupling can induce a topological non-trivial gap and drive the system to a topological insulator, and as the interaction increases, a larger spin--orbit coupling is required to reach the topological insulating phase.
文摘The observed magnetic data for two isosceles tricobalt(II) complexes have been successfully analyzed, considering the axial distortion around each cobalt(II) ion, the local spin-orbit coupling, the anisotropic exchange interactions, and the intermolecular exchange interactions. The complexes each contains two types of octahedral high-spin cobalt(II) ions (CoA and CoB) in the shape of an isosceles triangle (CoA1–CoB–CoA2), and the contribution of the orbital angular momentum is significant. The exchange interaction between the CoA and CoB ions is practically negligible (J = ~ 0), whereas the interaction between the CoA1 and CoA2 ions is ferromagnetic (J’ > 0) for both complexes.
基金supported by the National Natural Science Foundation of China(Grant No.11904062)the Starting Research Fund from Guangzhou University(Grant No.RQ2020076)Guangzhou Basic Research Program,jointed funded by Guangzhou University(Grant No.202201020186)。
文摘We systematically investigate the phonon dichroism in proximitized graphene with broken time-reversal symmetry.We find that in the absence of any type of spin–orbit coupling,phonon dichroism vanishes.Linear and circular phonon dichroism occur in the presence of uniform(staggered)intrinsic spin–orbit coupling and ferromagnetic(antiferromagnetic)exchange coupling.All these situations can be distinguished by their specific behaviors of phonon absorption at the transition point.Our finding provides new possibilities to use phonon dichroism to identify the form of spin–orbit coupling and exchange coupling in proximitized graphene on various magnetic substrates.
基金supported by the National Key R&D Program of China(Grant Nos.2021YFA1400900,2021YFA0718300,and 2021YFA1400243)the Key Scientific Research Project of colleges and Universities in Henan Province(Nos.20A140018 and 23A140001)+1 种基金the National Natural Science Foundatiion of China(Grant Nos.12074105,12074106,12074120,12247146,12104135,and 61835013)the Natural Science Foundation of Shanghai(Grant No.20ZR1418500).
文摘We investigate the itinerant ferromagnetism in a dipolar Fermi atomic system with the anisotropic spin–orbit coupling(SOC),which is traditionally explored with isotropic contact interaction.We first study the ferromagnetism transition boundaries and the properties of the ground states through the density and spin-flip distribution in momentum space,and we find that both the anisotropy and the magnitude of the SOC play an important role in this process.We propose a helpful scheme and a quantum control method which can be applied to conquering the difficulties of previous experimental observation of itinerant ferromagnetism.Our further study reveals that exotic Fermi surfaces and an abnormal phase region can exist in this system by controlling the anisotropy of SOC,which can provide constructive suggestions for the research and the application of a dipolar Fermi gas.Furthermore,we also calculate the ferromagnetism transition temperature and novel distributions in momentum space at finite temperature beyond the ground states from the perspective of experiment.
基金supported by the National Basic Research Program of China(Grant Nos.2015CB921102,2012CB821402 and 2012CB921303)the National Natural Science Foundation of China(Grant Nos.11534001 and11274364)
文摘A Kramers pair of helical edge states in quantum spin Hall effect （QSHE） is robust against normal dephasing but not robust to spin dephasing. In our work, we provide an effective spin dephasing mechanism in the puddles of two-dimensional （2D） QSHE, which is simulated as quantum dots modeled by 2D massive Dirac Hamiltouian. We demonstrate that the spin dephasing effect can originate from the combination of the Rashba spin-orbit coupling and electron-phonon interaction, which gives rise to inelastic backscattering in edge states within the topological insulator quantum dots, although the time-reversal symmetry is preserved throughout. Finally, we discuss the tunneling between extended helical edge states and local edge states in the QSH quantum dots, which leads to backscattering in the extended edge states. These results can explain the more robust edge transport in InAs/GaSb QSH systems.
文摘The binding energy spectrum and electron momentum distributions for the outer valence orbitals of n-propyl iodide molecule have been measured using the electron momentum spectrometer employing non-coplanar asymmetric geometry at impact energy of 2.5 keV plus binding energy. The ionization bands have been assigned in detail via the high accuracy SACCI general-R method calculation and the experimental momentum profiles are compared with the theoretical ones calculated by Hartree-Fock and B3LYP/aug-cc-pVTZ（C,H）6-311G？？（I）. The spin-orbit coupling effect and intramolecular orbital interaction have been analyzed for the outermost two bands, which are assigned to the iodine 5p lone pairs, using NBO method and non-relativistic as well as relativistic calculations. It is found that both of the interactions will lead to the observed differences in electron momentum distributions. The experimental results agree with the relativistic theoretical momentum profiles, indicating that the spin-orbit coupling effect dominates in n-propyl iodide molecule.
基金Project supported by the National Key Research and Development Program of China(Grant No.2017YFA0403300)the National Natural Science Foundation of China(Grant Nos.11874179,11574114,and 11874177)the Natural Science Foundation of Jilin Province,China(Grant Nos.20180101289JC)
文摘High-level ab initio calculations of aluminum monoiodide(AlI) molecule are performed by utilizing the multireference configuration interaction plus Davidson correction(MRCI+Q) method. The core-valence correlation(CV) and spin–orbit coupling(SOC) effect are considered. The adiabatic potential energy curves(PECs) of a total of 13 Λ–S states and 24 ? states are computed. The spectroscopic constants of bound states are determined, which are in accordance with the results of the available experimental and theoretical studies. The interactions between the Λ–S states are analyzed with the aid of the spin–orbit matrix elements. Finally, the transition properties including transition dipole moment(TDM),Frank–Condon factors(FCF) and radiative lifetime are obtained based on the computed PEC. Our study sheds light on the electronic structure and spectroscopy of low-lying electronic states of the AlI molecule.
