Evidences for local non-centrosymmetricity and strong phonon anomaly in EuCu2As2: a Raman spectroscopy and lattice dynamics study.

Phonon modes and their association with the electronic states have been investigated for the metallic EuCu2As2system. In this work, we present the Raman spectra of this pnictide system which clearly shows the presence of seven well defined peaks above 100 cm-1that is consistent with the locally non-centrosymmetricP4/nmmcrystal structure, contrary to that what is expected from the accepted symmorphicI4/mmmstructure. Lattice dynamics calculations using theP4/nmmsymmetry attest that there is a commendable agreement between the calculated phonon spectra at the Γ point and the observed Raman mode frequencies, with the most intense peak at∼232 cm-1being ascribed to the A1gmode. Temperature dependent Raman measurements show that there is a significant deviation from the expected anharmonic behaviour around 165 K for the A1gmode, with anomalies being observed for several other modes as well, although to a lesser extent. Attempts are made to rationalize the observed anomalous behavior related to the hardening of the phonon modes, with parallels being drawn from metal dichalcogenide and allied systems. Similarities in the evolution of the Raman peak frequencies with temperature seem to suggest a strong signature of a subtle electronic density wave instability below 165 K in this compound.

Observation of momentum-dependent charge density wave gap in a layered antiferromagnet [Formula: see text].

Charge density wave (CDW) ordering has been an important topic of study for a long time owing to its connection with other exotic phases such as superconductivity and magnetism. The [Formula: see text] (R = rare-earth elements) family of materials provides a fertile ground to study the dynamics of CDW in van der Waals layered materials, and the presence of magnetism in these materials allows to explore the interplay among CDW and long range magnetic ordering. Here, we have carried out a high-resolution angle-resolved photoemission spectroscopy (ARPES) study of a CDW material [Formula: see text], which is antiferromagnetic below [Formula: see text], along with thermodynamic, electrical transport, magnetic, and Raman measurements. Our ARPES data show a two-fold symmetric Fermi surface with both gapped and ungapped regions indicative of the partial nesting. The gap is momentum dependent, maximum along [Formula: see text] and gradually decreases going towards [Formula: see text]. Our study provides a platform to study the dynamics of CDW and its interaction with other physical orders in two- and three-dimensions.

Electronic Band Structure and Surface States in Dirac Semimetal LaAgSb2.

LaAgSb2 is a Dirac semimetal showing charge density wave (CDW) order. Previous angle-resolved photoemission spectroscopy (ARPES) results suggest the existence of the Dirac-cone-like structure in the vicinity of the Fermi level along the Γ-M direction. This paper is devoted to a complex analysis of the electronic band structure of LaAgSb2 by means of ARPES and theoretical studies within the ab initio method as well as tight binding model formulation. To investigate the possible surface states, we performed the direct DFT slab calculation and the surface Green function calculation for the (001) surface. The appearance of the surface states, which depends strongly on the surface, points to the conclusion that LaSb termination is realized in the cleaved crystals. Moreover, the surface states predicted by our calculations at the Γ and X points are found by ARPES. Nodal lines, which exist along the X-R and M-A paths due to crystal symmetry, are also observed experimentally. The calculations reveal other nodal lines, which originate from the vanishing of spin-orbit splitting and are located at the X-M-A-R plane at the Brillouin zone boundary. In addition, we analyze the band structure along the Γ-M path to verify whether Dirac surface states can be expected. Their appearance in this region is not confirmed.

Theoretical Study of Dynamical and Electronic Properties of Noncentrosymmetric Superconductor NbReSi.

The noncentrosymmetric NbReSi superconductor with Tc≃6.5 K is characterized by the relatively large upper critical magnetic field. Its multigap features were observed experimentally. Recent studies suggested the realization of P6¯2m or Ima2 symmetry. We discuss the dynamical properties of both symmetries (e.g., phonon spectra). In this paper, using the ab initio techniques, we clarify this ambiguity, and conclude that the Ima2 symmetry is unstable, and P6¯2m should be realized. The P6¯2m symmetry is also stable in the presence of external hydrostatic pressure. We show that NbReSi with the P6¯2m symmetry should host phonon surface states for (100) and (110) surfaces. Additionally, we discuss the main electronic properties of the system with the stable symmetry.

Electronic properties of Bi2Se3 dopped by 3d transition metal (Mn, Fe, Co, or Ni) ions.

Topological insulators are characterized by the existence of band inversion and the possibility of the realization of surface states. Doping with a magnetic atom, which is a source of the time-reversal symmetry breaking, can lead to realization of novel magneto-electronic properties of the system. In this paper, we study effects of substitution by the transition metal ions (Mn, Fe, Co and Ni) into Bi2Se3 on its electric properties. Using the ab inito supercell technique, we investigate the density of states and the projected band structure. Under such substitution the shift of the Fermi level is observed. We find the existence of nearly dispersionless bands around the Fermi level associated with substituted atoms, especially, in the case of the Co and Ni. Additionally, we discuss the modification of the electron localization function as well as charge and spin redistribution in the system. Our study shows a strong influence of the transition metal-Se bond on local modifications of the physical properties. The results are also discussed in the context of the interplay between energy levels of the magnetic impurities and topological surface states.

Delocalisation of Majorana quasiparticles in plaquette-nanowire hybrid system.

Interplay between superconductivity, spin-orbit coupling and magnetic field can lead to realisation of the topologically non-trivial states which in finite one dimensional nanowires are manifested by emergence of a pair of zero-energy Majorana bound states. On the other hand, in two dimensional systems the chiral edge states can appear. We investigate novel properties of the bound states in a system of mixed dimensionality, composed of one-dimensional nanowire connected with two-dimensional plaquette. We study this system, assuming either its part or the entire structure to be in topologically non-trivial superconducting state. Our results show delocalisation of the Majorana modes, upon leaking from the nanowire to the plaquette with some tendency towards its corners.

Phase separations induced by a trapping potential in one-dimensional fermionic systems as a source of core-shell structures.

Ultracold fermionic gases in optical lattices give a great opportunity for creating different types of novel states. One of them is phase separation induced by a trapping potential between different types of superfluid phases. The core-shell structures, occurring in systems with a trapping potential, are a good example of such separations. The types and the sequences of phases which emerge in such structures can depend on spin-imbalance, shape of the trap and on-site interaction strength. In this work, we investigate the properties of such structures within an attractive Fermi gas loaded in the optical lattice, in the presence of the trapping potential and their relations to the phase diagram of the homogeneous system. Moreover, we show how external and internal parameters of the system and parameters of the trap influence their properties. In particular, we show a possible occurrence of the core-shell structure in a system with a harmonic trap, containing the BCS and FFLO states. Additionally, we find a spatial separation of two superfuild states in the system, one in the BCS limit as well as the other one in the tightly bound local pairs (BEC) regime.

Electrostatic formation of the Majorana quasiparticles in the quantum dot-nanoring structure.

Zero-energy Majorana quasiparticles can be induced at the edges of low dimensional systems. Non-Abelian statistics of these states make them valid candidates for the realisation of topological quantum computer. From the practical point of view, it is crucial to obtain a system in which an on demand creation and manipulation of this type of bound states is feasible. In this article, we show such a possibility in a setup comprising a quantum nanoring in which we specify a quantum dot region via electrostatic means. The presence of quantum dot can lead to the emergence of Andreev and Majorana bound states in the investigated system. We study the differences between those two types of bound states and the possibility of their manipulation. Moreover, the exact calculation method for spectral function has been proposed, which can be used to study the influence of bound states on the band structure of the proposed system. Using this method, it can be shown that the Majorana bound states, induced at the edge of the system, present themselves as a dispersionless zero-energy flat-band.

Interplay between pairing and correlations in spin-polarized bound states.

We investigate single and multiple defects embedded in a superconducting host, studying the interplay between the proximity-induced pairing and interactions. We explore the influence of the spin-orbit coupling on energies, polarization and spatial patterns of the bound (Yu-Shiba-Rusinov) states of magnetic impurities in a two-dimensional square lattice. We also address the peculiar bound states in the proximitized Rashba chain, resembling the Majorana quasiparticles, focusing on their magnetic polarization that has been recently reported by S. Jeon et al. (Science2017,358, 772). Finally, we study leakage of these polarized Majorana quasiparticles into side-attached nanoscopic regions and confront them with the subgap Kondo effect near to the singlet-doublet phase transition.

Quantum engineering of Majorana quasiparticles in one-dimensional optical lattices.

We propose a feasible way of engineering Majorana-type quasiparticles in ultracold fermionic gases on a one-dimensional (1D) optical lattice. For this purpose, imbalanced ultracold atoms interacting by the spin-orbit coupling should be hybridized with a three-dimensional Bose-Einstein condensate molecular cloud. We show that the Majorana-type excitations can be created or annihilated upon constraining the profile of a trapping potential and/or an internal scattering barier. This process is modeled within the Bogoliubov-de Gennes approach. Our study is relevant also to nanoscopic 1D superconductors, where both potentials can be imposed by electrostatic means.

Influence of the orbital effects on the Majorana quasi-particles in a nanowire.

Majorana quasi-particles can be realised using magnetic field in the form of diamagnetic (orbital) or paramagnetic effects. In both cases, the magnetic field induces a topologically non-trivial phase of matter. In this paper, the influence of orbital effects on Majorana bound states induced by paramagnetic effects in 1D nanowire is elaborated. The role of orbital effects in density of states and eigenstates of the system is also discussed. Additionally, we show the phase diagram-the magnetic field versus the magnetic flux, which displays a relation between topologically trivial and non-trivial phases. The Majorana bound states existence in the presence of relatively small orbital effects is indicated.

The influence of the dimensionality of the system on the realization of unconventional Fulde-Ferrell-Larkin-Ovchinnikov pairing in ultra-cold Fermi gases.

The recent development of experimental techniques in ultracold atomic Fermi gases is extremely helpful in the progress of the realization of the unconventional Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) superfluid phase in quasi-one dimensional systems (Liao et al 2010 Nature 467 567). Due to a Fermi surface nesting, which is enhanced in 1D, the low-dimensional systems are particularly good candidates to find the FFLO phase stable. We investigate the influence of a dimensional crossover (from one dimension (1D) to two dimensions (2D) or three dimensions (3D)) on the stability of the FFLO state in the spin-imbalanced attractive Hubbard model.

Magnetic Lifshitz transition and its consequences in multi-band iron-based superconductors.

In this paper we address Lifshitz transition induced by applied external magnetic field in a case of iron-based superconductors, in which a difference between the Fermi level and the edges of the bands is relatively small. We introduce and investigate a two-band model with intra-band pairing in the relevant parameters regime to address a generic behaviour of a system with hole-like and electron-like bands in external magnetic field. Our results show that two Lifshitz transitions can develop in analysed systems and the first one occurs in the superconducting phase and takes place at approximately constant magnetic field. The chosen sets of the model parameters can describe characteristic band structure of iron-based superconductors and thus the obtained results can explain the experimental observations in FeSe and Co-doped BaFe2As2 compounds.

Diversity of charge orderings in correlated systems.

The phenomenon associated with inhomogeneous distribution of electron density is known as a charge ordering. In this work, we study the zero-bandwidth limit of the extended Hubbard model, which can be considered as a simple effective model of charge ordered insulators. It consists of the on-site interaction U and the intersite density-density interactions W_{1} and W_{2} between nearest neighbors and next-nearest neighbors, respectively. We derived the exact ground state diagrams for different lattice dimensionalities and discuss effects of small finite temperatures in the limit of high dimensions. In particular, we estimated the critical interactions for which new ordered phases emerge (laminar or stripe and four-sublattice-type). Our analysis show that the ground state of the model is highly degenerated. One of the most intriguing finding is that the nonzero temperature removes these degenerations.

Multiple phase transitions in Pauli-limited iron-based superconductors.

Specific heat measurements have been successfully used to probe unconventional superconducting phases in one-band heavy-fermion and organic superconductors. We extend the method to study successive phase transitions in multi-band materials such as iron-based superconductors. The signatures are multiple peaks in the specific heat, at low temperatures and high magnetic field, which can lead to the experimental verification of unconventional superconducting states with non-zero total momentum.

The Fulde-Ferrell-Larkin-Ovchinnikov phase in the presence of pair hopping interaction.

The recent experimental support for the presence of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) phase in CeCoIn(5) directed attention towards the mechanisms responsible for this type of superconductivity. We investigate the FFLO state in a model where on-site/inter-site pairing coexists with the repulsive pair hopping interaction. The latter interaction is interesting in that it leads to pairing with non-zero momentum of the Cooper pairs even in the absence of the external magnetic field (the so-called η pairing). It turns out that, depending on the strength of the pair hopping interaction, the magnetic field can induce one of two types of the FFLO phase with different spatial modulations of the order parameter. It is argued that the properties of the FFLO phase may give information about the magnitude of the pair hopping interaction. We also show that η pairing and d-wave superconductivity may coexist in the FFLO state. It holds true also for superconductors which, in the absence of magnetic field, are of pure d-wave type.