arXiv subjects

Congcong Le

Publications and source records attributed to Congcong Le.

At least 55 records · Page 3Linked to original sources

arXiv2019

Observation of topological nodal-line semimetal in YbMnSb2 through optical spectroscopy

The optical properties of YbMnSb2 have been measured in a broad frequency range from room temperature down to 7 K. With decreasing temperature, a flat region develops in the optical conductivity spectra at about 300cm-1, which can not be described by the well-known Drude-Lorentz model. A frequency-independent component has to be introduced to model the measured optical conductivity. Our first-principles calculations show that YbMnSb2 possesses a Dirac nodal line near the Fermi level. A comparison between the measured optical properties and calculated electronic band structures suggests that the frequency-independent optical conductivity component arises from interband transitions near the Dirac nodal line, thus demonstrating that YbMnSb2 is a Dirac nodal line semimetal.

cond-mat.mtrl-sci↗

arXiv2019

Quasi 1D topological nodal vortex line phase in doped superconducting 3D Dirac Semimetals

We study the vortex bound states in three dimensional (3D) superconducting Dirac semimetals with time reversal symmetry. Assuming two Dirac points on the kz-axis and bulk s-wave superconductivity, with a quantum vortex line parallel to the z-direction, we find that the superconducting vortex line has a robust quasi-1D nodal phase. The nodal phase stems from the symmetry protected Dirac points in the normal state bands, and it can be characterized by a topological index (ν; n) at kz = 0 and kz = π, where νis the Z2 topological invariant for a 0D class-D system and n is the Z topological invariant for a 0D class-A system according to the Altland- Zirnbauer classification. Based on the topological index, we find that vortex end Majorana zero mode can coexist with the quasi-1D nodal phase in certain kinds of Dirac semimetals. The influence of the symmetry breaking perturbations on the quasi-1D nodal phase is also analyzed. Finally, we discuss the possible material realization of such nodal vortex line state.

cond-mat.supr-con↗

arXiv2018

Ni-based transition-metal trichalcogenide monolayer: a strongly correlated quadruple-layer graphene

We investigate the electronic physics of layered Ni-based trichalcogenide NiPX$_3$ (X=S, Se), a member of transition-metal trichalcogenides (TMTs) with the chemical formula, ABX$_3$. These Ni-based TMTs distinguish themselves from other TMTs as their low energy electronic physics can be effectively described by the two $e_g$ d-orbitals. The major band kinematics is characterized by the unusal long-range effective hopping between two third nearest-neighbor (TNN) Ni sites in the two-dimensional Ni honeycomb lattice so that the Ni lattice can be equivalently viewed as four weakly coupled honeycomb sublattices. Within each sublattice, the electronic physics is described by a strongly correlated two-orbital graphene-type model that results in an antiferromagnetic (AFM) ground state near half filling. We show that the low energy physics in a paramagnetic state is determined by the eight Dirac cones which locate at $K$, $K'$, $\frac{K}{2}$ and $\frac{K'}{2}$ points in the first Brillouin zone with a strong AFM fluctuation between two $K (K')$ and $\frac{K'}{2} (\frac{K}{2})$ Dirac cones and carrier doping can sufficiently suppress the long-range AFM order and allow other competing orders, such as superconductivity, to emerge. The material can be an ideal system to study many exotic phenomena emerged from strong electron-electron correlation, including a potential $d\pm id$ superconducting state at high temperature.

cond-mat.str-el↗

arXiv2018

Infrared spectroscopic studies of the topological properties in CaMnSb2

We present temperature-dependent infrared spectroscopic studies of CaMnSb2, a proposed threedimensional topological material. The low plasma edge in the reflectivity spectrum and small Drude component in the optical conductivity indicate a very low carrier density. The low-frequency optical conductivity is well described by the superposition of a narrow and a broad Drude terms. Several linear components have been observed in the low-temperature optical conductivity, but none of them extrapolates to the origin, at odds with the optical response expected for three-dimensional Dirac fermions. A series of absorption peaks have been resolved in the high-frequency optical conductivity. The energy of these peaks agrees well with the interband transitions expected for the band structures from first-principles calculations. Intriguingly, the lowest band gap increases with decreasing temperature, mimic the temperature evolution of inverted bands. Furthermore, our theoretical calculations demonstrate the existence of weak coupling between two Sb-chains layers results in the topological trivial surface states in CaMnSb2.

physics.optics↗

arXiv2018

Universal superconductivity phase diagram for pressurized tetradymite topological insulators

We show that two different superconducting phases exist at high pressures in the optimized tetradymite topological insulators Bi2Te2Se (BTS) and Bi1.1Sb0.9Te2S (BSTS). The superconducting phases emerge at structural phase transitions, the first at 8.4 GPa for BTS and 12.4 GPa for BSTS, and the second at 13.6 GPa for BTS and 20.4 GPa, for BSTS. Electronic structure calculations show that these phases do not have topological character. Comparison of our results with prior work on Bi2Se3, Bi2Te3 and (Bi,Sb)2(Se,Te)3 allows us to uncover a universal phase diagram for pressure-induced superconductivity in tetradymites, providing a basis for understanding the relationships between topological behavior, crystal structure, and superconductivity for these materials.

cond-mat.supr-con↗

arXiv2018

Predicting Diamond-like Co-based Chalcogenides as Unconventional High Temperature Superconductors

We predict Co-based chalcogenides with a diamond-like structure can host unconventional high temperature superconductivity (high-$T_c$). The essential electronic physics in these materials stems from the Co layers with each layer being formed by vertex-shared CoA$_4$ (A=S,Se,Te) tetrahedra complexes, a material genome proposed recently by us to host potential unconventional high-$T_c$ close to a $d^7$ filling configuration in 3d transition metal compounds. We calculate the magnetic ground states of different transition metal compounds with this structure. It is found that (Mn,Fe,Co)-based compounds all have a G-type antiferromagnetic(AFM) insulating ground state while Ni-based compounds are paramagnetic metal. The AFM interaction is the largest in the Co-based compounds as the three $t_{2g}$ orbitals all strongly participate in AFM superexchange interactions. The abrupt quenching of the magnetism from the Co to Ni-based compounds is very similar to those from Fe to Co-based pnictides in which a C-type AFM state appears in the Fe-based ones but vanishes in the Co-based ones. This behavior can be considered as an electronic signature of the high-$T_c$ gene. Upon doping, as we predicted before, this family of Co-based compounds favor a strong d-wave pairing superconducting state.

cond-mat.supr-con↗

arXiv2018

Topological Critical Materials of Ternary Compounds

We review topological properties of two series of ternary compounds AMgBi (A=K, RB, Cs) and ABC with a hexagonal ZrBeSi type structure. The first series of materials AMgBi are predicted to be topological critical Dirac semimetals. The second series of ternary compounds, such as KZnP, BaAgAs, NaAuTe and KHgSb, can be used to realize various topological insulating states and semimetal states. The states are highly tunable as the realization of these topological states depends on the competition between several energy scales, including the energy of atomic orbitals, the energy of crystal splitting, the energy difference between bonding and antibonding states, and the strength of spin-orbit coupling. The exotic surface states in these series of compounds are predicted and are closely related to their unique crystal structures.

cond-mat.mtrl-sci↗

arXiv2018

$β$-CuI: a Dirac semimetal without surface Fermi arcs

Anomalous surface states with Fermi arcs are commonly considered to be a fingerprint of Dirac semimetals (DSMs). In contrast to Weyl semimetals, however, Fermi arcs of DSMs are not topologically protected. Using first-principles calculations, we predict that $β$-CuI is a peculiar DSM whose surface states form closed Fermi pockets instead of Fermi arcs. In such a fermiological Dirac semimetal, the deformation mechanism from Fermi arcs to Fermi pockets stems from a large cubic term preserving all crystal symmetries, and the small energy difference between the surface and bulk Dirac points. The cubic term in $β$-CuI, usually negligible in prototypical DSMs, becomes relevant because of the particular crystal structure. As such, we establish a concrete material example manifesting the lack of topological protection for surface Fermi arcs in DSMs

cond-mat.mes-hall↗

arXiv2017

A Possible Family of Ni-based High Temperature Superconductors

We suggest that a family of Ni-based compounds, which contain [Ni$_2$M$_2$O]$^{2-}$(M=chalcogen) layers with an antiperovskite structure constructed by mixed-anion Ni complexes, NiM$_4$O$_2$, can be potential high temperature superconductors upon doping or applying pressure. The layer structures have been formed in many other transitional metal compounds such as La$_2$B$_2$Se$_2$O$_3$(B=Mn, Fe,Co). For the Ni-based compounds, we predict that the parental compounds host collinear antiferromagnetic states similar to those in the iron-based high temperature superconductors. The electronic physics near Fermi energy is controlled by two e$_{g}$ d-orbitals with completely independent in-plane kinematics. We predict that the superconductivity in this family is characterized by strong competition between extended s-wave and d-wave pairing symmetries.

cond-mat.supr-con↗

arXiv2017

Magnetism and superconductivity in the layered hexagonal transition metal pnictides

We investigate the electronic and magnetic structures of the 122 (AM$_2$B$_2$) hexagonal transition-metal pnictides with A=(Sr, Ca), M=(Cr, Mn, Fe, Co, Ni) and B=(As, P, Sb). It is found that the family of materials share critical similarities with those of tetragonal structures that include the famous iron-based high temperature superconductors. In both families, the next nearest neighbor(NNN) effective antiferromagnetic(AFM) exchange couplings reach the maximum value in the iron-based materials. While the NNN couplings in the latter are known to be responsible for the C-type AFM state and to result in the extended s-wave superconducting state upon doping, they cause the former to be extremely frustrated magnetic systems and can lead to an time reversal symmetry broken $d+id$ superconducting state upon doping. The iron-based compounds with the hexagonal structure, thus if synthesized, can help us to determine the origin of high temperature superconductivity.

cond-mat.supr-con↗

arXiv2017

Theoretical studies of superconductivity in doped BaCoSO

We investigate superconductivity that may exist in the doped BaCoSO, a multi-orbital Mott insulator with a strong antiferromagnetic ground state. The superconductivity is studied in both t-J type and Hubbard type multi-orbital models by mean field approach and random phase approximation (RPA) analysis. Even if there is no C4 rotational symmetry, it is found that the system still carries a d-wave like pairing symmetry state with gapless nodes and sign changed superconducting order parameters on Fermi surfaces. The results are largely doping insensitive. In this superconducting state, the three t2g orbitals have very different superconducting form factors in momentum space. In particular, the intra-orbital pairing of the dx2-y2 orbital has a s-wave like pairing form factor. The two methods also predict very different pairing strength on different parts of Fermi surfaces.These results suggest that BaCoSO and related materials can be a new ground to test and establish fundamental principles for unconventional high temperature superconductivity.

cond-mat.supr-con↗

arXiv2017

Robust d-wave pairing symmetry in multi-orbital cobalt high temperature superconductors

The pairing symmetry of the newly proposed cobalt high temperature (high-$T_c$) superconductors formed by vertex shared cation-anion tetrahedral complexes is studied by the methods of mean field, random phase approximation (RPA) and functional renormalization group (FRG) analysis. The results of all these methods show that the $d_{x^2-y^2}$ pairing symmetry is robustly favored near half filling. The RPA and FRG methods, which are valid in weak interaction regions, predict that the superconducting state is also strongly orbital selective, namely the $d_{x^2-y^2}$ orbital that has the largest density near half filling among the three $t_{2g}$ orbitals dominates superconducting pairing. These results suggest that the new materials, if synthesized, can provide indisputable test to high-$T_c$ pairing mechanism and the validity of different theoretical methods.

cond-mat.supr-con↗

arXiv2016

Three-dimensional Critical Dirac semimetal in KMgBi

We predicted that AMgBi (A=K,Rb Cs), which have the same lattice structures as the 111 family of iron-based superconductors (Na/LiFeAs), are symmetry-protected Dirac semimetals located near the boundary of type-I and type-II Dirac semimetal phases. Doping Rb or Cs into KMgBi can drive the transition between the two phases. The materials can also be turned into Weyl semimetals and topological insulators by explicitly or spontaneously breaking time-reversal symmetry and C$_4$ lattice symmetry respectively.

cond-mat.supr-con↗

arXiv2016

A possible new family of unconventional high temperature superconductors

We suggest a new family of Co/Ni-based materials that may host unconventional high temperature superconductivity (high-T$_c$). These materials carry layered square lattices with each layer being formed by vertex-shared transition metal tetrahedra cation-anion complexes. The electronic physics in these materials is determined by the two dimensional layer and is fully attributed to the three near degenerated $t_{2g}$ d-orbitals close to a $d^7$ filling configuration in the d-shell of Co/Ni atoms . The electronic structure meets the necessary criteria for unconventional high T$_c$ materials proposed recently by us to unify the two known high-T$_c$ families, cuprates and iron-based superconductors. We predict that they host superconducting states with a d-wave pairing symmetry with T$_c$ potentially higher than those of iron-based superconductors. These materials, if realized, can be a fertile new ground to study strongly correlated electronic physics and provide decisive evidence for superconducting pairing mechanism.

cond-mat.supr-con↗

arXiv2016

Topological phase in non-centrosymmetric material NaSnBi

We predict that a non-centrosymmetric material NaSnBi locates in a three-dimensional non-trivial topological phase under ambient pressure based on first-principle calculations. By deriving the effective model around $Γ$ point, we find that the topological phase transition is driven by a Rashba spin-orbital coupling through an odd number of pairs of band touch because of a small anisotropic gap caused by quintic dispersion terms. In contrast to conventional topological insulators, the spin texture of surface Dirac cone is right-handed and the surface states are strikingly different for different surface terminations.

cond-mat.str-el↗

arXiv2016

Staggered FeSe Monolayer on SrTiO$_3$ (110) surface

We investigate the electronic and magnetic properties of FeSe monolayer on the anisotropic SrTiO$_3$ (110) surface. With compressive strain along $[1\bar{1}0]$ direction from the substrate, the monolayer FeSe possesses a staggered bipartite iron lattice with an height difference around 0.06Å~ along the out-plane direction. The staggering causes stronger magnetic frustration between the collinear and checkerboard antiferromagnetic orders, and the strain elongates one electron and two hole pockets along the strain direction and the remaining hole pocket along the orthogonal direction. The strain-induced band splitting at $Γ$ can also result in a band inversion to drive the system into a topologically nontrivial phase. The absence of strong superconducting suppression on the staggered lattice suggests that the superconducting pairings may be insensitive to the modification of interactions and hopping parameters between two Fe sublattices.

cond-mat.supr-con↗

arXiv2016

Hybrid Crystals of Cuprates and Iron-Based Superconductors

We propose two possible new compounds, Ba$_2$CuO$_2$Fe$_2$As$_2$ and K$_2$CuO$_2$Fe$_2$Se$_2$, which hybridize the building blocks of two high temperature superconductors, cuprates and iron-based superconductors. These compounds consist of square CuO$_2$ layers and antifluorite-type Fe$_2$X$_2$ (X=As,Se) layers separated by Ba/K. The calculations of binding energies and phonon spectrums indicate that they are dynamically stable, which ensures that they may be experimentally synthesized. The Fermi surfaces and electronic structures of the two compounds inherit the characteristics of both cuprates and iron-based superconductors. These compounds can be superconductors with intriguing physical properties to help to determine pairing mechanisms of high $T_c$ superconductivity.

cond-mat.supr-con↗

arXiv2015

Triplet $p_z$-wave pairing in quasi one dimensional A$_2$Cr$_3$As$_3$ superconductors

We construct minimum effective models to investigate the pairing symmetry in the newly discovered quasi-one-dimensional superconductor K$_2$Cr$_3$As$_3$. We show that a minimum three-band model based on the $d_{z^2}$, $d_{xy}$ and $d_{x^2-y^2}$ orbitals of one Cr sublattice can capture the band structures near Fermi surfaces. In both weak and strong coupling limits, the standard random phase approximation (RPA) and mean-field solutions consistently yield the triplet $p_z$-wave pairing as the leading pairing symmetry for physically realistic parameters. The triplet pairing is driven by the ferromagnetic fluctuations within the sublattice. The gap function of the pairing state possesses line gap nodes on the $k_z=0$ plane on the Fermi surfaces.

cond-mat.supr-con↗