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 883 records · Page 49Linked to original sources

arXiv2014

The dynamics of spontaneous hydrogen segregation in LaFe$_{13-x}$Si$_x$H$_y$

By means of time- and temperature-dependent magnetization measurements, we demonstrate that the timescale of hydrogen diffusion in partially-hydrogenated LaFe$_{13-x}$Si$_x$H$_y$ is of the order of hours, when the material is held at temperatures close to its as-prepared Curie temperature, $T_{C0}$. The diffusion constant is estimated to be $D \approx 10^{-15}$ - $10^{-16}$ m$^2$s$^{-1}$ at room temperature. We examine the evolution of a magnetically phase-separated state upon annealing for 3 days at a range of temperatures around $T_{C0}$, and show that the thermodynamic driving force behind hydrogen diffusion and phase segregation may be attributed to the lower free energy of hydrogen interstitials in the ferromagnetic state relative to the paramagnetic state.

cond-mat.mtrl-sci↗

arXiv2017

Transverse Magnetic Susceptibility of a Frustrated Spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ Heisenberg Antiferromagnet on a Bilayer Honeycomb Lattice

We use the coupled cluster method (CCM) to study a frustrated spin-$\frac{1}{2}$ $J_{1}$--$J_{2}$--$J_{1}^{\perp}$ Heisenberg antiferromagnet on a bilayer honeycomb lattice with $AA$ stacking. Both nearest-neighbor (NN) and frustrating next-nearest-neighbor antiferromagnetic (AFM) exchange interactions are present in each layer, with respective exchange coupling constants $J_{1}>0$ and $J_{2} \equiv κJ_{1} > 0$. The two layers are coupled with NN AFM exchanges with coupling strength $J_{1}^{\perp}\equiv δJ_{1}>0$. We calculate to high orders of approximation within the CCM the zero-field transverse magnetic susceptibility $χ$ in the Néel phase. We thus obtain an accurate estimate of the full boundary of the Néel phase in the $κδ$ plane for the zero-temperature quantum phase diagram. We demonstrate explicitly that the phase boundary derived from $χ$ is fully consistent with that obtained from the vanishing of the Néel magnetic order parameter. We thus conclude that at all points along the Néel phase boundary quasiclassical magnetic order gives way to a nonclassical paramagnetic phase with a nonzero energy gap. The Néel phase boundary exhibits a marked reentrant behavior, which we discuss in detail.

cond-mat.str-el↗

arXiv2018

Localization of magnon modes in a curved magnetic nanowire

Spin waves in magnetic nanowires can be bound by a local bending of the wire. The eigenfrequency of a truly local magnon mode is determined by the curvature: a general analytical expression is established for any infinitesimally weak localized curvature of the wire. The interaction of the local mode with spin waves, propagating through the bend, results in scattering features, which is well confirmed by spin-lattice simulations.

cond-mat.mes-hall↗

arXiv2021

Linear unsaturated magnetoresistance in YSi single crystal

Linear magnetoresistance is a phenomenon that has been observed in a few topological compounds that originate from classical and quantum phenomena. Here, we performed electrical transport measurements, in zero and applied magnetic fields, on the YSi single crystal along all three principal crystallographic directions of the orthorhombic crystal structure. For $I~\parallel~[001]$ and $H~\parallel~[100]$ direction above $\approx 10$~T, mobility fluctuation driven linear magnetoresistance is observed without any sign of saturation up to $14$~T magnetic field. Anisotropy in the Fermi surface is immanent from the angular dependence of the magnetoresistance. Kohler rule violation is observed in this system and Hall data signifies multiple charge carriers in YSi.

cond-mat.str-el↗

arXiv2012

Evidence for a Fermi liquid in the pseudogap phase of high-Tc cuprates

Cuprate high-T_c superconductors on the Mott-insulating side of "optimal doping" (with respect to the highest T_c's) exhibit enigmatic behavior in the non-superconducting state. Near optimal doping the transport and spectroscopic properties are unlike those of a Landau-Fermi liquid. For carrier concentrations below optimal doping a pseudogap removes quasi-particle spectral weight from parts of the Fermi surface, and causes a break-up of the Fermi surface into disconnected nodal and anti-nodal sectors. Here we show that the near-nodal excitations of underdoped cuprates obey Fermi liquid behavior. Our optical measurements reveal that the dynamical relaxation rate 1/tau(omega,T) collapses on a universal function proportional to (hbar omega)^2+(1.5 pi k_B T)^2. Hints at possible Fermi liquid behavior came from the recent discovery of quantum oscillations at low temperature and high magnetic field in underdoped YBa2Cu3O6+d and YBa2Cu4O8, from the observed T^2-dependence of the DC (ω=0) resistivity for both overdoped and underdoped cuprates, and from the two-fluid analysis of nuclear magnetic resonance data. However, the direct spectroscopic determination of the energy dependence of the life-time of the excitations -provided by our measurements- has been elusive up to now. This observation defies the standard lore of non-Fermi liquid physics in high T_c cuprates on the underdoped side of the phase diagram.

cond-mat.supr-con↗

arXiv2014

Tunable non-equilibrium dynamics: field quenches in spin ice

We present non-equilibrium physics in spin ice as a novel setting which combines kinematic constraints, emergent topological defects, and magnetic long range Coulomb interactions. In spin ice, magnetic frustration leads to highly degenerate yet locally constrained ground states. Together, they form a highly unusual magnetic state -- a "Coulomb phase" -- whose excitations are pointlike defects -- magnetic monopoles -- in the absence of which effectively no dynamics is possible. Hence, when they are sparse at low temperature, dynamics becomes very sluggish. When quenching the system from a monopole-rich to a monopole-poor state, a wealth of dynamical phenomena occur the exposition of which is the subject of this article. Most notably, we find reaction diffusion behaviour, slow dynamics due to kinematic constraints, as well as a regime corresponding to the deposition of interacting dimers on a honeycomb lattice. We also identify new potential avenues for detecting the magnetic monopoles in a regime of slow-moving monopoles. The interest in this model system is further enhanced by its large degree of tunability, and the ease of probing it in experiment: with varying magnetic fields at different temperatures, geometric properties -- including even the effective dimensionality of the system -- can be varied. By monitoring magnetisation, spin correlations or zero-field Nuclear Magnetic Resonance, the dynamical properties of the system can be extracted in considerable detail. This establishes spin ice as a laboratory of choice for the study of tunable, slow dynamics.

cond-mat.str-el↗

arXiv2014

Electric double-layer transistor using layered iron selenide Mott insulator TlFe1.6Se2

A1-xFe2-ySe2 (A = K, Cs, Rb, Tl) are recently discovered iron-based superconductors with critical temperatures (Tc) ranging up to 32 K. Their parent phases have unique properties when compared with other iron-based superconductors; e.g., their crystal structures include ordered Fe vacancies, their normal states are antiferromagnetic (AFM) insulating phases, and they have extremely high Néel transition temperatures. However, control of carrier doping into the parent AFM insulators has been difficult due to their intrinsic phase separation. Here, we fabricated an Fe-vacancy-ordered TlFe1.6Se2 insulating epitaxial film with an atomically flat surface and examined its electrostatic carrier doping using an electric double-layer transistor (EDLT) structure with an ionic liquid gate. The positive gate voltage gave conductance modulation of three orders of magnitude at 25 K, and further induced and manipulated a phase transition; i.e., delocalized carrier generation by electrostatic doping is the origin of the phase transition. This is the first demonstration, to the authors' knowledge, of an EDLT using a Mott insulator iron-selenide channel and opens a way to explore high-Tc superconductivity in iron-based layered materials, where carrier doping by conventional chemical means is difficult.

cond-mat.mtrl-sci↗

arXiv2013

Kondo conductance across the smallest spin 1/2 radical molecule

Molecular contacts are generally poorly conducting because their energy levels tend to lie far from the Fermi energy of the metal contact, necessitating undesirably large gate and bias voltages in molecular electronics applications. Molecular radicals are an exception because their partly filled orbitals undergo Kondo screening, opening the way to electron passage even at zero bias. While that phenomenon has been experimentally demonstrated for several complex organic radicals, quantitative theoretical predictions have not been attempted so far. It is therefore an open question whether and to what extent an ab initio-based theory is able to make accurate predictions for Kondo temperatures and conductance lineshapes. Choosing nitric oxide NO as a simple and exemplary spin 1/2 molecular radical, we present calculations based on a combination of density functional theory and numerical renormalization group (DFT+NRG) predicting a zero bias spectral anomaly with a Kondo temperature of 15 K for NO/Au(111). A scanning tunneling spectroscopy study is subsequently carried out to verify the prediction, and a striking zero bias Kondo anomaly is confirmed, still quite visible at liquid nitrogen temperatures. Comparison shows that the experimental Kondo temperature of about 43 K is larger than the theoretical one, while the inverted Fano lineshape implies a strong source of interference not included in the model. These discrepancies are not a surprise, providing in fact an instructive measure of the approximations used in the modeling, which supports and qualifies the viability of the DFT+NRG approach to the prediction of conductance anomalies in larger molecular radicals.

cond-mat.mes-hall↗

arXiv2014

Renormalization of myoglobin-ligand binding energetics by quantum many-body effects

We carry out a first-principles atomistic study of the electronic mechanisms of ligand binding and discrimination in the myoglobin protein. Electronic correlation effects are taken into account using one of the most advanced methods currently available, namely a linear-scaling density functional theory (DFT) approach wherein the treatment of localized iron 3d electrons is further refined using dynamical mean-field theory (DMFT). This combination of methods explicitly accounts for dynamical and multi-reference quantum physics, such as valence and spin fluctuations, of the 3d electrons, whilst treating a significant proportion of the protein (more than 1000 atoms) with density functional theory. The computed electronic structure of the myoglobin complexes and the nature of the Fe-O2 bonding are validated against experimental spectroscopic observables. We elucidate and solve a long standing problem related to the quantum-mechanical description of the respiration process, namely that DFT calculations predict a strong imbalance between O2 and CO binding, favoring the latter to an unphysically large extent. We show that the explicit inclusion of many body-effects induced by the Hund's coupling mechanism results in the correct prediction of similar binding energies for oxy- and carbonmonoxymyoglobin.

physics.chem-ph↗

arXiv2013

Hybridization gap and Fano resonance in SmB${_6}$

We present results of Scanning Tunneling Microscopy and Spectroscopy (STS) measurements on the "Kondo insulator" SmB$_6$. The vast majority of surface areas investigated was reconstructed but, infrequently, also patches of varying size of non-reconstructed, Sm- or B-terminated surfaces were found. On the smallest patches, clear indications for the hybridization gap and inter-multiplet transitions were observed. On non-reconstructed surface areas large enough for coherent co-tunneling we were able to observe clear-cut Fano resonances. Our locally resolved STS indicated considerable finite conductance on all surfaces independent of their structure.

cond-mat.str-el↗

arXiv2013

High Pressure Effects on the Superconductivity in Rare-Earth Doped CaFe2As2

High-pressure superconductivity in a rare-earth doped Ca0.86Pr0.14Fe2As2 single crystalline sample has been studied up to 12 GPa and temperatures down to 11 K using designer diamond anvil cell under a quasi-hydrostatic pressure medium. The electrical resistance measurements were complemented by high pressure and low temperature x-ray diffraction studies at a synchrotron source. The electrical resistance measurements show an intriguing observation of superconductivity under pressure, with Tc as high as ~51 K at 1.9 GPa, presenting the highest Tc reported in the intermetallic class of 1-2-2 iron-based superconductors. The resistive transition observed suggests a possible existence of two superconducting phases at low pressures of 0.5 GPa: one phase starting at Tc1 ~48 K, and the other starting at Tc2~16 K. The two superconducting transitions show distinct variations with increasing pressure. High pressure low temperature structural studies indicate that the superconducting phase is a collapsed tetragonal ThCr2Si2-type (122) crystal structure. Our high pressure studies indicate that high Tc state attributed to non-bulk superconductivity in rare-earth doped 1-2-2 iron-based superconductors is stable under compression over a broad pressure range.

cond-mat.supr-con↗

arXiv2012

Correlated Electron Materials and Field Effect Transistors for Logic: A Review

Correlated electron systems are among the centerpieces of modern condensed matter sciences, where many interesting physical phenomena, such as metal-insulator transition and high-Tc superconductivity appear. Recent efforts have been focused on electrostatic doping of such materials to probe the underlying physics without introducing disorder as well as to build field-effect transistors that may complement conventional semiconductor metal-oxide-semiconductor field effect transistor (MOSFET) technology. This review focuses on metal-insulator transition mechanisms in correlated electron materials and three-terminal field effect devices utilizing such correlated oxides as the channel layer. We first describe how electron-disorder interaction, electron-phonon interaction and/or electron correlation in solids could modify the electronic properties of materials and lead to metal-insulator transitions. Then we analyze experimental efforts toward utilizing these transitions in field effect transistors and their underlying principles. It is pointed out that correlated electron systems show promise among these various materials displaying phase transitions for logic technologies. Furthermore, novel phenomena emerging from electronic correlation could enable new functionalities in field effect devices. We then briefly review unconventional electrostatic gating techniques, such as ionic liquid gating and ferroelectric gating, which enables ultra large carrier accumulation density in the correlated materials which could in turn lead to phase transitions. The review concludes with a brief discussion on the prospects and suggestions for future research directions in correlated oxide electronics for information processing.

cond-mat.str-el↗

arXiv2014

Optical study of hybridization and hidden order in URu$_2$Si$_2$

We summarize existing optical data of URu$_2$Si$_2$ to clarify the nature of the hidden order transition in this heavy fermion metal. Hybridization develops between 50 K and 17.5 K, and a coherent Drude peak emerges which mirrors the changes in the dc resistivity. The Drude weight indicates that there is little change in the effective mass of these carriers in this temperature range. In addition, there is a flat background conductivity that develops a partial hybridization gap at 10 meV as the temperature is lowered, shifting spectral weight to higher frequencies above 300 meV. Below 30 K the carriers become increasingly coherent and Fermi-liquid-like as the hidden order transition is approached. The hidden order state in URu$_2$Si$_2$ is characterized by multiple anisotropic gaps. The gap parameter $Δ_a=3.2$ meV in the {\it ab}-plane. In the {\it c}-direction, there are two distinct gaps with magnitudes of $Δ_{c1}=2.7$ meV and $Δ_{c2}=1.8$ meV. These observations are in good agreement with other spectroscopic measurements. Overall, the spectrum can be fit by a Dynes-type density of states model to extract values of the hidden order gap. The transfer of spectral weight strongly resembles what one sees in density wave transitions.

cond-mat.str-el↗

arXiv2011

Epitaxial Stabilization of Ultrathin Films of Rare-Earth Nickelates

We report on the synthesis of ultrathin films of highly distorted EuNiO3 (ENO) grown by interrupted pulse laser epitaxy on YAlO3 (YAO) substrates. Through mapping the phase space of nickelate thin film epitaxy, the optimal growth temperatures were found to scale linearly with the Goldschmidt tolerance factor. Considering the gibbs energy of the expanding film, this empirical trend is discussed in terms of epitaxial stabilization and the escalation of the lattice energy due to lattice distortions and decreasing symmetry. These findings are fundamental to other complex oxide perovskites, and provide a route to the synthesis of other perovskite structures in ultrathin-film form.

cond-mat.str-el↗

arXiv2013

Dynamic Hubbard model: kinetic energy driven charge expulsion, charge inhomogeneity, hole superconductivity, and Meissner effect

Dynamic Hubbard models describe the fact that the wavefunction of an electron in an atomic orbital expands when a second electron occupies the orbital. These models give rise to superconductivity driven by lowering of kinetic energy when the electronic energy band is almost full, with higher transition temperatures resulting when the ions are negatively charged. We show that the charge distribution in dynamic Hubbard models can be highly inhomogeneous in the presence of disorder, and that a finite system will expel {\it negative charge} from the interior to the surface, and that these tendencies are largest in the parameter regime where the models give rise to highest superconducting transition temperatures. High $T_c$ cuprate materials exhibit charge inhomogeneity and they exhibit tunneling asymmetry, a larger tendency to emit electrons rather than holes in NIS tunnel junctions. We propose that these properties, as well as their high $T_c$'s, are evidence that they are governed by the physics described by dynamic Hubbard models. Below the superconducting transition temperature the models considered here describe a negatively charged superfluid and positively charged quasiparticles, unlike the situation in conventional BCS superconductors where quasiparticles are charge neutral on average. We examine the temperature dependence of the superfluid and quasiparticle charges and conclude that spontaneous electric fields should be observable in the interior and in the vicinity of superconducting materials described by these models at sufficiently low temperatures. We furthermore suggest that the dynamics of the negatively charged superfluid and positively charged quasiparticles in dynamic Hubbard models can provide an explanation for the Meissner effect observed in superconducting materials.

cond-mat.supr-con↗

arXiv2013

Unconventional states of bosons with synthetic spin-orbit coupling

Spin-orbit coupling with bosons gives rise to novel properties that are absent in usual bosonic systems. Under very general conditions, the conventional ground state wavefunctions of bosons are constrained by the "no-node" theorem to be positive-definite. In contrast, the linear-dependence of spin-orbit coupling leads to complex-valued condensate wavefunctions beyond this theorem. In this article, we review the study of this class of unconventional Bose-Einstein condensations focusing on their topological properties. Both the 2D Rashba and 3D $\vecσ \cdot \vec{p}$-type Weyl spin-orbit couplings give rise to Landau-level-like quantization of single-particle levels in the harmonic trap. The interacting condensates develop the half-quantum vortex structure spontaneously breaking time-reversal symmetry and exhibit topological spin textures of the skyrmion type. In particular, the 3D Weyl coupling generates topological defects in the quaternionic phase space as an SU(2) generalization of the usual U(1) vortices. Rotating spin-orbit coupled condensates exhibit rich vortex structures due to the interplay between vorticity and spin texture. In the Mott-insulating states in optical lattices, quantum magnetism is characterized by the Dzyaloshinskii-Moriya type exchange interactions.

cond-mat.quant-gas↗

arXiv2000

High-Order Coupled Cluster Method Calculations for the Ground- and Excited-State Properties of the Spin-Half XXZ Model

In this article, we present new results of high-order coupled cluster method (CCM) calculations, based on a Néel model state with spins aligned in the $z$-direction, for both the ground- and excited-state properties of the spin-half {\it XXZ} model on the linear chain, the square lattice, and the simple cubic lattice. In particular, the high-order CCM formalism is extended to treat the excited states of lattice quantum spin systems for the first time. Completely new results for the excitation energy gap of the spin-half {\it XXZ} model for these lattices are thus determined. These high-order calculations are based on a localised approximation scheme called the LSUB$m$ scheme in which we retain all $k$-body correlations defined on all possible locales of $m$ adjacent lattice sites ($k \le m$). The ``raw'' CCM LSUB$m$ results are seen to provide very good results for the ground-state energy, sublattice magnetisation, and the value of the lowest-lying excitation energy for each of these systems. However, in order to obtain even better results, two types of extrapolation scheme of the LSUB$m$ results to the limit $m \to \infty$ (i.e., the exact solution in the thermodynamic limit) are presented. The extrapolated results provide extremely accurate results for the ground- and excited-state properties of these systems across a wide range of values of the anisotropy parameter.

cond-mat.str-el↗

arXiv2009

Charge Distribution Near Oxygen Vacancies in Reduced Ceria

Understanding the electronic charge distribution around oxygen vacancies in transition metal and rare earth oxides is a scientific challenge of considerable technological importance. We show how significant information about the charge distribution around vacancies in cerium oxide can be gained from a study of high resolution crystal structures of higher order oxides which exhibit ordering of oxygen vacancies. Specifically, we consider the implications of a bond valence sum analysis of Ce$_{7}$O$_{12}$ and Ce$_{11}$O$_{20}$. To illuminate our analysis we show alternative representations of the crystal structures in terms of orderly arrays of co-ordination defects and in terms of flourite-type modules. We found that in Ce$_{7}$O$_{12}$, the excess charge resulting from removal of an oxygen atom delocalizes among all three triclinic Ce sites closest to the O vacancy. In Ce$_{11}$O$_{20}$, the charge localizes on the next nearest neighbour Ce atoms. Our main result is that the charge prefers to distribute itself so that it is farthest away from the O vacancies. This contradicts \emph{the standard picture of charge localisation} which assumes that each of the two excess electrons localises on one of the cerium ions nearest to the vacancy. This standard picture is assumed in most calculations based on density functional theory (DFT). Based on the known crystal structure of Pr$_{6}$O$_{11}$, we also predict that the charge in Ce$_{6}$O$_{11}$ will be found in the second coordination shell of the O vacancy. Although this review focuses on bulk cerium oxides our approach to characterising electronic properties of oxygen vacancies and the physical insights gained should also be relevant to surface defects and to other rare earth and transition metal oxides.

cond-mat.mtrl-sci↗