SEARCH · Searcharxiv

Results for “cond-mat.str-el”

Search indexed arXiv papers on artificial intelligence, large language models, computer vision and robotics. Read source abstracts and follow links to arXiv.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 775 records · Page 43Linked to original sources

arXiv2000

Hole superconductivity from kinetic energy gain

The apparently unrelated experimental observations of optical sum rule violation[1] and of tunneling asymmetry in NIS tunneling[2] find a simple explanation within the theory of hole superconductivity. In fact, both phenomena were predicted by the theory long before they were experimentally observed[3,4]. Other experimental predictions of the theory, in particular a novel feature expected in photoemission experiments, are discussed.

cond-mat.supr-con↗

arXiv2014

Electric-Field-Modulated Nonvolatile Resistance Switching in VO2/PMN-PT(111) Heterostructures

The electric-field-modulated resistance switching in VO2 thin films grown on piezoelectric (111)-0.68Pb(Mg1/3Nb2/3)O3-0.32PbTiO3 (PMN-PT) substrates has been investigated. Large relative change in resistance (10.7%) was observed in VO2/PMN-PT(111) hererostructures at room temperature. For a substrate with a given polarization direction, stable resistive states of VO2 films can be realized even when the applied electric fields are removed from the heterostructures. By sweeping electric fields across the heterostructure appropriately, multiple resistive states can be achieved. These stable resistive states result from the different stable remnant strain states of substrate, which is related to the rearrangements of ferroelectric domain structures in PMN-PT(111) substrate. The resistance switching tuned by electric field in our work may have potential applications for novel electronic devices.

cond-mat.str-el↗

arXiv2014

Synthesis and characterisation of nanomaterials of the topological crystalline insulator SnTe

A new class of materials, Topological Crystalline Insulators (TCIs) have been shown to possess exotic surface state properties that are protected by mirror symmetry. These surface features can be enhanced if the surface-area-to-volume ratio of the material increases, or the signal arising from the bulk of the material can be suppressed. We report the experimental procedures to obtain high quality crystal boules of the TCI, SnTe, from which nanowires and microcrystals can be produced by the vapour-liquid-solid (VLS) technique. Detailed characterisation measurements of the bulk crystals as well as of the nanowires and microcrystals produced are presented. The nanomaterials produced were found to be stoichiometrically similar to the source material used. Electron back-scatter diffraction (EBSD) shows that the majority of the nanocrystals grow in the vicinal {001} direction to the growth normal. The growth conditions to produce the different nanostructures of SnTe have been optimised.

cond-mat.mtrl-sci↗

arXiv2013

Optimized structure and vibrational properties by error affected potential energy surfaces

The precise theoretical determination of the geometrical parameters of molecules at the minima of their potential energy surface and of the corresponding vibrational properties are of fundamental importance for the interpretation of vibrational spectroscopy experiments. Quantum Monte Carlo techniques are correlated electronic structure methods promising for large molecules, which are intrinsically affected by stochastic errors on both energy and force calculations, making the mentioned calculations more challenging with respect to other more traditional quantum chemistry tools. To circumvent this drawback in the present work we formulate the general problem of evaluating the molecular equilibrium structures, the harmonic frequencies and the anharmonic coefficients of an error affected potential energy surface. The proposed approach, based on a multidimensional fitting procedure, is illustrated together with a critical evaluation of systematic and statistical errors. We observe that the use of forces instead of energies in the fitting procedure reduces the the statistical uncertainty of the vibrational parameters by one order of magnitude. Preliminary results based on Variational Monte Carlo calculations on the water molecule demonstrate the possibility to evaluate geometrical parameters, harmonic and anharmonic coefficients at this level of theory with an affordable computational cost and a small stochastic uncertainty (<0.07% for geometries and <0.7% for vibrational properties).

cond-mat.str-el↗

arXiv2012

Density matrix embedding: A strong-coupling quantum embedding theory

We extend our density matrix embedding theory (DMET) [Phys. Rev. Lett. 109 186404 (2012)] from lattice models to the full chemical Hamiltonian. DMET allows the many-body embedding of arbitrary fragments of a quantum system, even when such fragments are open systems and strongly coupled to their environment (e.g., by covalent bonds). In DMET, empirical approaches to strong coupling, such as link atoms or boundary regions, are replaced by a small, rigorous quantum bath designed to reproduce the entanglement between a fragment and its environment. We describe the theory and demonstrate its feasibility in strongly correlated hydrogen ring and grid models; these are not only beyond the scope of traditional embeddings, but even challenge conventional quantum chemistry methods themselves. We find that DMET correctly describes the notoriously difficult symmetric dissociation of a 4x3 hydrogen atom grid, even when the treated fragments are as small as single hydrogen atoms. We expect that DMET will open up new ways of treating of complex strongly coupled, strongly correlated systems in terms of their individual fragments.

cond-mat.str-el↗

arXiv2013

Orbital entanglement in bond-formation processes

The accurate calculation of the (differential) correlation energy is central to the quantum chemical description of bond-formation and bond-dissociation processes. In order to estimate the quality of single- and multi-reference approaches for this purpose, various diagnostic tools have been developed. In this work, we elaborate on our previous observation [J. Phys. Chem. Lett. 3, 3129 (2012)] that one- and two-orbital-based entanglement measures provide quantitative means for the assessment and classification of electron correlation effects among molecular orbitals. The dissociation behavior of some prototypical diatomic molecules features all types of correlation effects relevant for chemical bonding. We demonstrate that our entanglement analysis is convenient to dissect these electron correlation effects and to provide a conceptual understanding of bond-forming and bond-breaking processes from the point of view of quantum information theory.

physics.chem-ph↗

arXiv2013

Frozen-orbital and downfolding calculations with auxiliary-field quantum Monte Carlo

We describe the implementation of the frozen-orbital and downfolding approximations in the auxiliary-field quantum Monte Carlo (AFQMC) method. These approaches can provide significant computational savings compared to fully correlating all the electrons. While the many-body wave function is never explicit in AFQMC, its random walkers are Slater determinants, whose orbitals may be expressed in terms of any one-particle orbital basis. It is therefore straightforward to partition the full N-particle Hilbert space into active and inactive parts to implement the frozen-orbital method. In the frozen-core approximation, for example, the core electrons can be eliminated in the correlated part of the calculations, greatly increasing the computational efficiency, especially for heavy atoms. Scalar relativistic effects are easily included using the Douglas-Kroll-Hess theory. Using this method, we obtain a way to effectively eliminate the error due to single-projector, norm-conserving pseudopotentials in AFQMC. We also illustrate a generalization of the frozen-orbital approach that downfolds high-energy basis states to a physically relevant low-energy sector, which allows a systematic approach to produce realistic model Hamiltonians to further increase efficiency for extended systems.

physics.comp-ph↗

arXiv2014

Hydrogen Ordering and New Polymorph of Layered Perovskite Oxyhydrides: Sr2VO4-xHx

Compositionally tunable vanadium oxyhydrides Sr2VO4-xHx (x = 0 - 1) without considerable anion vacancy were synthesized by high-pressure solid state reaction. The crystal structures and their properties were characterized by powder neutron diffraction, synchrotron X-ray diffraction, thermal desorption spectroscopy, and first-principles density functional theory (DFT) calculations. The hydrogen anions selectively replaced equatorial oxygen sites in the VO6 layers via statistical substitution of hydrogen in the low x region (x < 0.2). A new orthorhombic phase (Immm) with an almost entirely hydrogen-ordered structure formed from the K2NiF4-type tetragonal phase with x > 0.7. Based on the DFT calculations, the degree of oxygen/hydrogen anion ordering is strongly correlated with the bonding interaction between vanadium and the ligands.

cond-mat.mtrl-sci↗

arXiv2013

Finding New Superconductors: The Spin-Fluctuation Gateway to High Tc and Possible Room Temperature Superconductivity

We propose an experiment-based strategy for finding new high transition temperature superconductors that is based on the well-established spin fluctuation magnetic gateway to superconductivity in which the attractive quasiparticle interaction needed for superconductivity comes from their coupling to dynamical spin fluctuations originating in the proximity of the material to an antiferromagnetic state. We show how lessons learned by combining the results of almost three decades of intensive experimental and theoretical study of the cuprates with those found in the decade-long study of a strikingly similar family of unconventional heavy electron superconductors, the 115 materials, can prove helpful in carrying out that search. We conclude that since Tc in these materials scales approximately with the strength of the interaction, J, between the nearest neighbor local moments in their parent antiferromagnetic state, there may not be a magnetic ceiling that would prevent one from discovering a room temperature superconductor.

cond-mat.supr-con↗

arXiv2013

Thermal and Electrical Transport across a Magnetic Quantum Critical Point

A quantum critical point (QCP) arises at a continuous transition between competing phases at zero temperature. Collective excitations at magnetic QCPs give rise to metallic properties that strongly deviate from the expectations of Landau's Fermi liquid description, the standard theory of electron correlations in metals. Central to this theory is the notion of quasiparticles, electronic excitations which possess the quantum numbers of the bare electrons. Here we report measurements of thermal and electrical transport across the field-induced magnetic QCP in the heavy-fermion compound YbRh$_2$Si$_2$. We show that the ratio of the thermal to electrical conductivities at the zero-temperature limit obeys the Wiedemann-Franz (WF) law above the critical field, $B_c$. This is also expected at $B < B_c$, where weak antiferromagnetic order and a Fermi liquid phase form below 0.07 K ($B = 0$). However, at the critical field the low-temperature electrical conductivity suggests a non-Fermi-liquid ground state and exceeds the thermal conductivity by about 10%. This apparent violation of the WF law provides evidence for an unconventional type of QCP at which the fundamental concept of Landau quasiparticles breaks down. These results imply that Landau quasiparticles break up, and that the origin of this disintegration is inelastic scattering associated with electronic quantum critical fluctuations. Our finding brings new insights into understanding deviations from Fermi-liquid behaviour frequently observed in various classes of correlated materials.

cond-mat.str-el↗

arXiv2013

Bounding the pseudogap with a line of phase transitions in YBCO cuprate superconductors

Close to optimal doping, the copper oxide superconductors show 'strange metal' behavior, suggestive of strong fluctuations associated with a quantum critical point. Such a critical point requires a line of classical phase transitions terminating at zero temperature near optimal doping inside the superconducting 'dome'. The underdoped region of the temperature-doping phase diagram from which superconductivity emerges is referred to as the 'pseudogap' because evidence exists for partial gapping of the conduction electrons, but so far there is no compelling thermodynamic evidence as to whether the pseudogap is a distinct phase or a continuous evolution of physical properties on cooling. Here we report that the pseudogap in YBCO cuprate superconductors is a distinct phase, bounded by a line of phase transitions. The doping dependence of this line is such that it terminates at zero temperature inside the superconducting dome. From this we conclude that quantum criticality drives the strange metallic behavior and therefore superconductivity in the cuprates.

cond-mat.supr-con↗

arXiv2013

Heavy Solitons in a Fermionic Superfluid

Topological excitations are found throughout nature, in proteins and DNA, as dislocations in crystals, as vortices and solitons in superfluids and superconductors, and generally in the wake of symmetry-breaking phase transitions. In fermionic systems, topological defects may provide bound states for fermions that often play a crucial role for the system's transport properties. Famous examples are Andreev bound states inside vortex cores, fractionally charged solitons in relativistic quantum field theory, and the spinless charged solitons responsible for the high conductivity of polymers. However, the free motion of topological defects in electronic systems is hindered by pinning at impurities. Here we create long-lived solitons in a strongly interacting fermionic superfluid by imprinting a phase step into the superfluid wavefunction, and directly observe their oscillatory motion in the trapped superfluid. As the interactions are tuned from the regime of Bose-Einstein condensation (BEC) of tightly bound molecules towards the Bardeen-Cooper-Schrieffer (BCS) limit of long-range Cooper pairs, the effective mass of the solitons increases dramatically to more than 200 times their bare mass. This signals their filling with Andreev states and strong quantum fluctuations. For the unitary Fermi gas, the mass enhancement is more than fifty times larger than expectations from mean-field Bogoliubov-de Gennes theory. Our work paves the way towards the experimental study and control of Andreev bound states in ultracold atomic gases. In the presence of spin imbalance, the solitons created here represent one limit of the long sought-after Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state of mobile Cooper pairs.

cond-mat.quant-gas↗

arXiv2011

Revealing the high-energy electronic excitations underlying the onset of high-temperature superconductivity in cuprates

In strongly-correlated systems the electronic properties at the Fermi energy (EF) are intertwined with those at high energy scales. One of the pivotal challenges in the field of high-temperature superconductivity (HTSC) is to understand whether and how the high energy scale physics associated with Mott-like excitations (|E-E$_{F}$|>1 eV) is involved in the condensate formation. Here we show the interplay between the many-body high-energy CuO2 excitations at 1.5 and 2 eV and the onset of HTSC. This is revealed by a novel optical pump supercontinuum-probe technique, which provides access to the dynamics of the dielectric function in Bi$_2$Sr$_2$Ca$_{0.92}$Y$_{0.08}$Cu$_2$O$_{8+δ}$ over an extended energy range, after the photoinduced suppression of the superconducting pairing. These results unveil an unconventional mechanism at the base of HTSC both below and above the optimal hole concentration required to attain the maximum critical temperature (T$_c$).

cond-mat.str-el↗

arXiv2013

Surface-enhanced charge-density-wave instability in underdoped Bi2201

Neutron and x-ray scattering experiments have provided mounting evidence for spin and charge ordering phenomena in underdoped cuprates. These range from early work on stripe correlations in Nd-LSCO to the latest discovery of charge-density-waves in YBCO. Both phenomena are characterized by a pronounced dependence on doping, temperature, and an externally applied magnetic field. Here we show that these electron-lattice instabilities exhibit also a previously unrecognized bulk-surface dichotomy. Surface-sensitive electronic and structural probes uncover a temperature-dependent evolution of the CuO2 plane band dispersion and apparent Fermi pockets in underdoped Bi2201, which is directly associated with an hitherto-undetected strong temperature dependence of the incommensurate superstructure periodicity below 130K. In stark contrast, the structural modulation revealed by bulk-sensitive probes is temperature independent. These findings point to a surface-enhanced incipient charge-density-wave instability, driven by Fermi surface nesting. This discovery is of critical importance in the interpretation of single-particle spectroscopy data and establishes the surface of cuprates and other complex oxides as a rich playground for the study of electronically soft phases.

cond-mat.supr-con↗

arXiv2013

Quantum Criticality in Electron-doped BaFe_{2-x}Ni_xAs_2

A quantum critical point (QCP) is a point in a system's phase diagram at which an order is completely suppressed at absolute zero temperature (T). The presence of a quantum critical point manifests itself in the finite-T physical properties, and often gives rise to new states of matter. Superconductivity in the cuprates and in heavy fermion materials is believed by many to be mediated by fluctuations associated with a quantum critical point. In the recently-discovered iron-pnictide high temperature superconductors, it is unknown whether a QCP exists or not in a carrier-doped system. Here we report transport and nuclear magnetic resonance (NMR) measurements on BaFe_{2-x}Ni_xAs_2 (0 =< x =< 0.17). We find two critical points at x_{c1} = 0.10 and x_{c2} = 0.14. The electrical resistivity follows ρ= ρ_0 + A*T^n, with n = 1 around x_{c1} and another minimal n = 1.1 at x_{c2}. By NMR measurements, we identity x_{c1} to be a magnetic QCP and suggest that x_{c2} is a new type of QCP associated with a nematic structural phase transition. Our results suggest that the superconductivity in carrier-doped pnictides is closely linked to the quantum criticality.

cond-mat.supr-con↗

arXiv2013

A Strained Organic Field-Effect-Transistor with a Gate-Tunable Superconducting Channel

In state-of-the-art silicon devices, mobility of the carrier is enhanced by the lattice strain from the back substrate. Such an extra control of device performance is significant in realizing high performance computing and should be valid for electric-field-induced superconducting devices, too. However, so far, the carrier density is the sole parameter for field-induced superconducting interfaces. Here we show an active organic superconducting field-effect-transistor whose lattice is modulated by the strain from the substrate. The soft organic lattice allows tuning of the strain by a choice of the back substrate to make an induced superconducting state accessible at low temperature with a paraelectric solid gate. An active three terminal Josephson junction device thus realized is useful both in advanced computing and in elucidating a direct connection between filling-controlled and bandwidth-controlled superconducting phases in correlated materials.

cond-mat.supr-con↗

arXiv2014

Hour-glass magnetic spectrum in a stripe-less insulating transition metal oxide

An hour-glass shaped magnetic excitation spectrum appears to be an universal characteristic of the high-temperature superconducting cuprates. Fluctuating charge stripes or alternative band structure approaches are able to explain the origin of these spectra. Recently, an hour- glass spectrum has been observed in an insulating cobaltate, thus, favouring the charge stripe scenario. Here we show that neither charge stripes nor band structure effects are responsible for the hour-glass dispersion in a cobaltate within the checkerboard charge ordered regime of La2-xSrxCoO4. The search for charge stripe ordering reflections yields no evidence for charge stripes in La1.6Sr0.4CoO4 which is supported by our phonon studies. With the observation of an hour-glass-shaped excitation spectrum in this stripe-less insulating cobaltate, we provide experimental evidence that the hour-glass spectrum is neither necessarily connected to charge stripes nor to band structure effects, but instead, probably intimately coupled to frustration and arising chiral or non-collinear magnetic correlations.

cond-mat.str-el↗

arXiv2013

Nodal quasiparticle dynamics in the heavy fermion superconductor CeCoIn5 revealed by precision microwave spectroscopy

CeCoIn5 is a heavy fermion superconductor with strong similarities to the high-Tc cuprates, including quasi-two-dimensionality, proximity to antiferromagnetism, and probable d-wave pairing arising from a non-Fermi-liquid normal state. Experiments allowing detailed comparisons of their electronic properties are of particular interest, but in most cases are difficult to realize, due to their very different transition temperatures. Here we use low temperature microwave spectroscopy to study the charge dynamics of the CeCoIn5 superconducting state. The similarities to cuprates, in particular to ultra-clean YBa2Cu3Oy, are striking: the frequency and temperature dependence of the quasiparticle conductivity are instantly recognizable, a consequence of rapid suppression of quasiparticle scattering below Tc; and penetration depth data, when properly treated, reveal a clean, linear temperature dependence of the quasiparticle contribution to superfluid density. The measurements also expose key differences, including prominent multiband effects and a temperature dependent renormalization of the quasiparticle mass.

cond-mat.supr-con↗