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Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting 下载免费PDF全文
We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling N and crystal field splitting Δ. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicates that the large region of orbital-selective Mott phase is driven and stabilized by doping. Such models may account for the orbital-selective Mott transition in some doped realistic strongly correlated materials. 相似文献
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Motivated by the discovery of a new family of 122 iron-based superconductors, we present the theoretical results on the ground state phase diagram, spin wave, and dynamic structure factor obtained from the extended J1-J2 Heisenberg model. In the reasonable physical parameter region of K2Fe4Se5, we find that the block checkerboard antiferromagnetic order phase is stable. There are two acoustic spin wave branches and six optical spin wave branches in the block checkerboard antiferromagnetic phase, which have analytic expressions at the high-symmetry points. To further compare the experimental data on neutron scattering, we investigate the saddlepoint structure of the magnetic excitation spectrum and the inelastic neutron scattering pattern based on linear spin wave theory. 相似文献
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We propose an efficient implementation of combining dynamical mean field theory(DMFT) with electronic structural calculation based on the local density approximation(LDA).The pseudo-potential-plane-wave method is used in the LDA part,which enables it to be applied to large systems.The full loop self consistency of the charge density has been reached in our implementation,which allows us to compute the total energy related properties.The procedure of LDA+DMFT is introduced in detail with a complete flow chart.We have also applied our code to study the electronic structure of several typical strong correlated materials,including cerium,americium and NiO.Our results fit quite well with both the experimental data and previous studies. 相似文献
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We propose a real-space Gutzwiller variational approach and apply it to a system of repulsively interacting ultracold fermions with spin-1/2 trapped in an optical lattice with a harmonic confinement. Using the realspace Gutzwiller variational approach, we find that in a system with balanced spin-mixtures on a square lattice, antiferromagnetism either appears in a checkerboard pattern or forms a ring, and the antiferromagnetie order is stable in the regions where the particle density is close to one, which is consistent with the recent results obtained by the real-space dynamical mean-field theory approach. We also investigate the imbalanced case and find that the antiferromagnetic order is suppressed there. 相似文献
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Electronic structure,Dirac points and Fermi arc surface states in three-dimensional Dirac semimetal Na_3Bi from angle-resolved photoemission spectroscopy 下载免费PDF全文
梁爱基 陈朝宇 王志俊 石友国 冯娅 伊合绵 谢卓晋 何少龙 何俊峰 彭莹莹 刘艳 刘德发 胡成 赵林 刘国东 董晓莉 张君 M Nakatake H Iwasawa K Shimada M Arita H Namatame M Taniguchi 许祖彦 陈创天 翁红明 戴希 方忠 周兴江 《中国物理 B》2016,25(7):77101-077101
The three-dimensional(3D) Dirac semimetals have linearly dispersive 3D Dirac nodes where the conduction band and valence band are connected. They have isolated 3D Dirac nodes in the whole Brillouin zone and can be viewed as a 3D counterpart of graphene. Recent theoretical calculations and experimental results indicate that the 3D Dirac semimetal state can be realized in a simple stoichiometric compound A_3Bi(A = Na, K, Rb). Here we report comprehensive high-resolution angle-resolved photoemission(ARPES) measurements on the two cleaved surfaces,(001) and(100), of Na_3Bi. On the(001) surface, by comparison with theoretical calculations, we provide a proper assignment of the observed bands, and in particular, pinpoint the band that is responsible for the formation of the three-dimensional Dirac cones. We observe clear evidence of 3D Dirac cones in the three-dimensional momentum space by directly measuring on the k_x–k_y plane and by varying the photon energy to get access to different out-of-plane k_zs. In addition, we reveal new features around the Brillouin zone corners that may be related with surface reconstruction. On the(100) surface, our ARPES measurements over a large momentum space raise an issue on the selection of the basic Brillouin zone in the(100) plane. We directly observe two isolated 3D Dirac nodes on the(100) surface. We observe the signature of the Fermi-arc surface states connecting the two 3D Dirac nodes that extend to a binding energy of ~150 me V before merging into the bulk band. Our observations constitute strong evidence on the existence of the Dirac semimetal state in Na_3Bi that are consistent with previous theoretical and experimental work. In addition, our results provide new information to clarify on the nature of the band that forms the3 D Dirac cones, on the possible formation of surface reconstruction of the(001) surface, and on the issue of basic Brillouin zone selection for the(100) surface. 相似文献
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Fast impurity solver for dynamical mean field theory based on second order perturbation around the atomic limit 下载免费PDF全文
This paper proposes an impurity solver for the dynamical mean field theory (DMFT) study of the Mott insulators, which is based on the second order perturbation of the hybridization function. After careful benchmarking with quantum Monte Carlo results on the anti-ferromagnetic phase of the Hubbard model, it concludes that this impurity solver can capture the main physical features in the strong coupling regime and can be a very useful tool for the LDA (local density approximation) +,DMFT studies of the Mott insulators with long range order. 相似文献
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The Fermi surfaces (FS) of LaOFeAs (in kz = 0 plane) consist of two hole-type circles around F point, which do not touch each other, and two electron-type co-centred ellipses around the M point, which are degenerate along the M - X line. By first-principles calculations, here we show that additional degeneracy exists for the two electron-type FS, and the crucial role ofF-doping and pressure is to enhance this orbital degeneracy. It is therefore suggested that the inter-orbital fluctuation is important to understand the unconventional superconductivity in these materials. 相似文献