Alternative Ground State Research Articles

Swelling-induced twisting and shearing in fiber composites: the effect of the base matrix mechanical response

If a helical network of fibers is embedded in a swellable matrix, and if the fibers themselves resist swelling, then a change in the amount of swelling agent will cause a corresponding twisting motion in the material. This effect has recently been analyzed in highly deformable soft material tubes using the theory of hyperelasticity, suitably modified to incorporate the swelling effect. Those studies examined the effect of spiral angle and fiber-to-matrix inherent stiffness in the context of a ground state matrix material that exhibited classical neo-Hookean behavior in the absence of swelling. While such a ground state material is nonlinear in general, its shear response is linear. As we describe here, it is this shear response that governs the matrix contribution to the twist-swelling interaction. Because gels, elastomers, and even biological tissue can exhibit complex ground state behavior in shear—behavior that may depart significantly from a linear response—we then examine the effect of alternative ground state behaviors on the twist-swelling interaction. The range of behaviors considered includes materials that harden in shear, materials that soften in shear, materials that have an ultimate shear stress bound, and materials that collapse in shear. Matrix materials that either soften or collapse in shear are found to amplify the twisting effect.

Suppression of the Shastry-Sutherland phase driven by electronic concentration reduction in magnetically frustratedCe2.15Pd1.95(Sn1−yIny)0.9alloys

Shastry-Sutherland lattice was observed as alternative ground state in Rare Earth intermetallic with Mo$_2$B$_2$Fe and U$_2$Pt$_2$Sn anisotropic structures where magnetic frustration is favored. In the case of Ce$_2$Pd$_2$Sn, it was shown that such phase can be suppressed by the application of magnetic field and, in this work, its stability is studied as a function of the electronic concentration by doping the Sn(4+) lattice with In(3+) atoms. Magnetic and specific heat measurements show that around 50\% substitution the Shastry Sutherland lattice vanishes in a critical point. This result confirms the strong dependence of that phase on the electron density because a recent investigation on the Pd rich solid solution Ce$_{2+\epsilon}$Pd$_{2-\epsilon}$In$_{1-x}$Sn$_x$ (with $\epsilon < 0$) demonstrates that atomic disorder dominates the phase diagram at intermediate Sn/In concentration inhibiting magnetic frustration effects. In the alloys investigated in this work, the $\epsilon >0$ character stabilizes the ferromagnetic ground state all along the concentration, allowing the Shastry Sutherland lattice formation on the Sn rich side.

Entropy Constraints in the Ground State Formation of Magnetically Frustrated Systems

A systematic modification of the entropy trajectory (\(S_\mathrm{m}(T)\)) is observed at very low temperature in magnetically frustrated systems as a consequence of the constraint (\(S_\mathrm{m}\ge 0\)) imposed by the Nernst postulate. The lack of magnetic order allows to explore and compare new thermodynamic properties by tracing the specific heat (\(C_\mathrm{m}\)) behavior down to the sub-Kelvin range. Some of the most relevant findings are: (i) a common \(C_\mathrm{m}/T|_{T\rightarrow 0} \approx 7\) J/mol K\(^2\) ‘plateau’ in at least five Yb-based very-heavy-fermions (VHF) compounds; (ii) quantitative and qualitative differences between VHF and standard non-Fermi-liquids; (iii) entropy bottlenecks governing the change of \(S_\mathrm{m}(T)\) trajectories in a continuous transition into alternative ground states. A comparative analysis of \(S_\mathrm{m}(T\rightarrow 0)\) dependencies is performed in compounds suitable for adiabatic demagnetization processes according to their \(\partial ^2 S_\mathrm{m}/\partial T^2\) derivatives.

Role of entropy in the ground state formation of frustrated systems

The absence of magnetic order in Rare Earth-based frustrated compounds allows to recognize the action of the third law of thermodynamics in the low temperature behavior of those systems. One of the most relevant findings is the appearance of a coincident specific heat Cm/T|T→0≈7J/molK2 ‘plateau’ in six Yb systems. This characteristic feature occurs after a systematic modification of the thermal trajectory of their entropies Sm(T) in the range of a few hundred milikelvin degrees. Such behavior is explained by the formation of an entropy-bottleneck imposed by the third law constraint (Sm|T→0≥0), that drives the system into alternative ground states. Based in these finding, three possible approaches to the Sm|T→0 limit observed in real systems are analyzed in terms of the ∂2Sm/∂T2 dependencies.

Robust fractional quantum Hall effect in the N=2 Landau level in bilayer graphene.

The fractional quantum Hall effect is a canonical example of electron–electron interactions producing new ground states in many-body systems. Most fractional quantum Hall studies have focussed on the lowest Landau level, whose fractional states are successfully explained by the composite fermion model. In the widely studied GaAs-based system, the composite fermion picture is thought to become unstable for the N≥2 Landau level, where competing many-body phases have been observed. Here we report magneto-resistance measurements of fractional quantum Hall states in the N=2 Landau level (filling factors 4<|ν|<8) in bilayer graphene. In contrast with recent observations of particle–hole asymmetry in the N=0/N=1 Landau levels of bilayer graphene, the fractional quantum Hall states we observe in the N=2 Landau level obey particle–hole symmetry within the fully symmetry-broken Landau level. Possible alternative ground states other than the composite fermions are discussed.

Single Cell RNA-Sequencing of Pluripotent States Unlocks Modular Transcriptional Variation

SummaryEmbryonic stem cell (ESC) culture conditions are important for maintaining long-term self-renewal, and they influence cellular pluripotency state. Here, we report single cell RNA-sequencing of mESCs cultured in three different conditions: serum, 2i, and the alternative ground state a2i. We find that the cellular transcriptomes of cells grown in these conditions are distinct, with 2i being the most similar to blastocyst cells and including a subpopulation resembling the two-cell embryo state. Overall levels of intercellular gene expression heterogeneity are comparable across the three conditions. However, this masks variable expression of pluripotency genes in serum cells and homogeneous expression in 2i and a2i cells. Additionally, genes related to the cell cycle are more variably expressed in the 2i and a2i conditions. Mining of our dataset for correlations in gene expression allowed us to identify additional components of the pluripotency network, including Ptma and Zfp640, illustrating its value as a resource for future discovery.

Alternative ground states enable pathway switching in biological electron transfer

Electron transfer is the simplest chemical reaction and constitutes the basis of a large variety of biological processes, such as photosynthesis and cellular respiration. Nature has evolved specific proteins and cofactors for these functions. The mechanisms optimizing biological electron transfer have been matter of intense debate, such as the role of the protein milieu between donor and acceptor sites. Here we propose a mechanism regulating long-range electron transfer in proteins. Specifically, we report a spectroscopic, electrochemical, and theoretical study on WT and single-mutant Cu(A) redox centers from Thermus thermophilus, which shows that thermal fluctuations may populate two alternative ground-state electronic wave functions optimized for electron entry and exit, respectively, through two different and nearly perpendicular pathways. These findings suggest a unique role for alternative or "invisible" electronic ground states in directional electron transfer. Moreover, it is shown that this energy gap and, therefore, the equilibrium between ground states can be fine-tuned by minor perturbations, suggesting alternative ways through which protein-protein interactions and membrane potential may optimize and regulate electron-proton energy transduction.

Hartree-Fock approximation of bipolaron state in quantum dots and wires

The bipolaronic ground state of two electrons in a spherical quantum dot or a quantum wire with parabolic boundaries is studied in the strong electron-phonon coupling regime. We introduce a variational wave function that can conveniently conform to represent alternative ground state configurations of the two electrons, namely, the bipolaronic bound state, the state of two individual polarons, and two nearby interacting polarons confined by the external potential. In the bipolaron state the electrons are found to be separated by a finite distance about a polaron size. We present the formation and stability criteria of bipolaronic phase in confined media. It is shown that the quantum dot confinement extends the domain of stability of the bipolaronic bound state of two electrons as compared to the bulk geometry, whereas the quantum wire geometry aggravates the formation of stable bipolarons.

Particle–Hole Asymmetry and the Pseudogap Phase of the High-T C Superconductors

In the pseudogap phase of the copper oxide superconductors, a significant portion of the Fermi surface is still gapped at temperatures above the superconducting transition temperature T C . Instead of a closed Fermi surface, the low-energy electronic excitations appear to form unconnected Fermi arcs separated by gapped regions. It is generally believed that the spectral function is particle-hole symmetric (at low energies) in both regions—with a peak at the Fermi level on the Fermi arcs and a local minimum at the Fermi level in the gapped regions. Here, using high resolution angle-resolved photoemission and new techniques of analysis, we show that on a sizable portion of the Fermi surface, the electronic structure in the immediate vicinity of the Fermi level is not particle-hole symmetric in the pseudogap phase. This is clear evidence that an alternative ground state competes with the superconductivity. The observations are also consistent with the possibility that the Fermi arcs are, in fact, the inner surface of the predicted Fermi pockets.

Field induced magnetic order in the frustrated magnet gadolinium gallium garnet

Gd3Ga5O12, (GGG), has an extraordinary magnetic phase diagram, where no long range order is found down to 25 mK despite ΘCW ≈2 K. However, long range order is induced by an applied field of around 1 T. Motivated by recent theoretical developments and the experimental results for a closely related hyperkagome system, we have performed neutron diffraction measurements on a single crystal sample of GGG in an applied magnetic field. The measurements reveal that the H - T phase diagram of GGG is much more complicated than previously assumed. The application of an external field at low T results in an intensity change for most of the magnetic peaks which can be divided into three distinct sets: ferromagnetic, commensurate antiferromagnetic, and incommensurate antiferromagnetic. The ferromagnetic peaks (e.g. (112), (440) and (220)) have intensities that increase with the field and saturate at high field. The antiferromagnetic reflections have intensities that grow in low fields, reach a maximum at an intermediate field (apart from the (002) peak which shows two local maxima) and then decrease and disappear above 2 T. These AFM peaks appear, disappear and reach maxima in different fields. We conclude that the competition between magnetic interactions and alternative ground states prevents GGG from ordering in zero field. It is, however, on the verge of ordering and an applied magnetic field can be used to crystallise ordered components. The range of ferromagnetic (FM) and antiferromagnetic (AFM) propagation vectors found reflects the complex frustration in GGG.

Emergence of preformed Cooper pairs from the doped Mott insulating state in Bi2Sr2CaCu2O8+δ

Superconductors are characterized by an energy gap that represents the energy needed to break the pairs of electrons (Cooper pairs) apart. At temperatures considerably above those associated with superconductivity, the high-transition-temperature copper oxides have an additional 'pseudogap'. It has been unclear whether this represents preformed pairs of electrons that have not achieved the coherence necessary for superconductivity, or whether it reflects some alternative ground state that competes with superconductivity. Paired electrons should display particle-hole symmetry with respect to the Fermi level (the energy of the highest occupied level in the electronic system), but competing states need not show such symmetry. Here we report a photoemission study of the underdoped copper oxide Bi(2)Sr(2)CaCu(2)O(8+delta) that shows the opening of a symmetric gap only in the anti-nodal region, contrary to the expectation that pairing would take place in the nodal region. It is therefore evident that the pseudogap does reflect the formation of preformed pairs of electrons and that the pairing occurs only in well-defined directions of the underlying lattice.

Electronic Structure of Six-Coordinate Iron(III)−Porphyrin NO Adducts: The Elusive Iron(III)−NO(radical) State and Its Influence on the Properties of These Complexes

This paper investigates the interaction between five-coordinate ferric hemes with bound axial imidazole ligands and nitric oxide (NO). The corresponding model complex, [Fe(TPP)(MI)(NO)](BF4) (MI = 1-methylimidazole), is studied using vibrational spectroscopy coupled to normal coordinate analysis and density functional theory (DFT) calculations. In particular, nuclear resonance vibrational spectroscopy is used to identify the Fe-N(O) stretching vibration. The results reveal the usual Fe(II)-NO(+) ground state for this complex, which is characterized by strong Fe-NO and N-O bonds, with Fe-NO and N-O force constants of 3.92 and 15.18 mdyn/A, respectively. This is related to two strong pi back-bonds between Fe(II) and NO(+). The alternative ground state, low-spin Fe(III)-NO(radical) (S = 0), is then investigated. DFT calculations show that this state exists as a stable minimum at a surprisingly low energy of only approximately 1-3 kcal/mol above the Fe(II)-NO(+) ground state. In addition, the Fe(II)-NO(+) potential energy surface (PES) crosses the low-spin Fe(III)-NO(radical) energy surface at a very small elongation (only 0.05-0.1 A) of the Fe-NO bond from the equilibrium distance. This implies that ferric heme nitrosyls with the latter ground state might exist, particularly with axial thiolate (cysteinate) coordination as observed in P450-type enzymes. Importantly, the low-spin Fe(III)-NO(radical) state has very different properties than the Fe(II)-NO(+) state. Specifically, the Fe-NO and N-O bonds are distinctively weaker, showing Fe-NO and N-O force constants of only 2.26 and 13.72 mdyn/A, respectively. The PES calculations further reveal that the thermodynamic weakness of the Fe-NO bond in ferric heme nitrosyls is an intrinsic feature that relates to the properties of the high-spin Fe(III)-NO(radical) (S = 2) state that appears at low energy and is dissociative with respect to the Fe-NO bond. Altogether, release of NO from a six-coordinate ferric heme nitrosyl requires the system to pass through at least three different electronic states, a process that is remarkably complex and also unprecedented for transition-metal nitrosyls. These findings have implications not only for heme nitrosyls but also for group-8 transition-metal(III) nitrosyls in general.

Barrier heights between ground states in a model of RNA secondary structure

Secondary structure formation is an important factor influencing the behaviour of many types of naturally occurring RNA molecules. RNA secondary structure also provides an example of a disordered system showing frustration and a rugged energy landscape with many alternative ground states. We use a numerical method to estimate energy barrier heights between a set of alternative ground-state structures of a given sequence. Both the mean barrier height and the maximum barrier height for a given sequence scale with a sequence length N approximately as . The matrix h of barriers is exactly ultrametric, which means that structures form an exactly hierarchical set of clusters based on barrier heights. The matrix of distances d between structures is correlated with h, but with large fluctuations. Hence, the d matrix is approximately ultrametric, but the clustering of structures based on distances is not perfectly hierarchical. Certain base pairs are observed to be present in every ground-state structure. These `frozen' pairs divide the molecule up into mutually inaccessible pieces. All of the separate pieces contribute to determining the distance between structures, but only the largest piece will contribute to the barrier height. The length of the largest piece varies between sequences, and scales in proportion to N on average. We compare these results with studies of other disordered systems, and discuss the consequences for the folding of naturally occurring RNAs.

Antiferromagnetic metallic state in doped manganites

Electronic and magnetic properties are systematically investigated for doped manganites ${R}_{1\ensuremath{-}x}{\mathrm{Sr}}_{x}{\mathrm{MnO}}_{3}$ $(R={\mathrm{La}}_{1\ensuremath{-}z}{\mathrm{Nd}}_{z})$ by changing the nominal hole concentration $x$ and the averaged ionic radius of the perovskite $A$ site $(z),$ or the one-electron bandwidth $W.$ In the heavily doped region $(x&gt;~0.50),$ we observed a layered-type ($A$-type) antiferromagnetic state with metallic conductivity ($\ensuremath{\rho}\ensuremath{\approx}4\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}4}\ensuremath{\Omega}\mathrm{cm}$ at 5 K for ${\mathrm{La}}_{0.46}{\mathrm{Sr}}_{0.54}{\mathrm{MnO}}_{3}$). This observation suggests that the antiferromagnetic metallic (AFM) state is the alternative ground state for doped manganites, besides the ferromagnetic metallic (FM) state.

Alternative Superconducting Ground States

A comparison is made between (a) the trial ground state composed of a linear combination of normal state configurations in which individual electron states of opposite momentum and equal spin projection (k t, -k t) and (k t, -k t), abbreviated (kcr, -kcr), are both either occupied or unoccupied, and (b) the trial ground state with (k t , -k t ) pairing proposed by Bardeen, Cooper, and Schrieffer. The two trial states lead to identical thermodynamics as long as an average matrix element -V = &lt; Vkle' &gt;av is treated as a disposable parameter. They lead to similar coherence effects for ultrasonic attenuation and nuclear spin relaxation. They differ in that spin paramagnetism is predicted for (kcr, -kcr) pairing. Detailed knowledge of the electron-phonon interaction in superconductors seems at present inadequate to rule out either possibility for all superconductors.