Fermi Surface Topology in the Case of Spontaneously Broken Rotational Symmetry

The relation between the broken rotational symmetry of a system and the topology of its Fermi surface is studied for the two-dimensional system with the quasiparticle interaction f(p, p') having a sharp peak at |p ? p'| = q₀. It is shown that, in the case of attraction and q₀ = 2p_F the first instability manifesting itself with the growth of the interaction strength is the Pomeranchuk instability. This instability appearing in the L = 2 channel gives rise to a second order phase transition to a nematic phase. The Monte Carlo calculations demonstrate that this transition is followed by a sequence of the first and second order phase transitions corresponding to the changes in the symmetry and topology of the Fermi surface. In the case of repulsion and small values of q₀, the first transition is a topological transition to a state with the spontaneously broken rotational symmetry, namely, corresponding to the nucleation of L ? π(p_F/q₀ ? 1) small hole pockets at the distance p_F ? q₀ from the center and the deformation of the outer Fermi surface with the characteristic multipole number equal to L. At q₀ → 0, when the model under study transforms to the two-dimensional Nozières model, the multipole number characterizing the spontaneous deformation is L → ∞, whereas the infinitely folded Fermi curve acquires the Hausdorff dimension D = 2 which corresponds to the state with the fermion condensate.     

V<Subscript>52</Subscript>O<Subscript>64</Subscript> tetragonal superstructure of cubic vanadium monoxide with vacancies in the metal sublattice

The atom-vacancy ordering of cubic vanadium monoxide VO_1.29, which has basis cubic structure B1 and structural vacancies in the metal sublattice, has been studied using the x-ray diffraction method. It has been shown that the formation of the tetragonal (space group I4₁/amd) ordered phase V₅₂O₆₄ of cubic vanadium monoxide VO_y proceeds as a first-order phase transition through the disorder-order channel including 22 nonequivalent superstructure vectors of four stars {k ₁₀}, {k ₄}, {k ₃}, and {k ₂}. The distribution function of the vanadium atoms in the V₅₂O₆₄ tetragonal superstructure has been calculated.     

Formation of the incommensurate ordered phase in TaC<Subscript>y</Subscript> carbide

Structural neutron diffraction studies indicate that only one ordered phase arises after the disorder-order transition in nonstoichiometric cubic tantalum carbide TaC_y. This phase arises in the composition range y = 0.79–0.89 due to long-term annealing with a decrease in temperature from 1600 to 300 K. It is incommensurate in the [1–11]_B1 direction, but it is close to commensurate M₆C₅ structures (C2/m and P3₁ space groups) in mutual arrangement of atoms and vacancies in nonmetallic (1–11)_B1 planes. The disorder-order transition channel that is associated with the formation of the incommensurate superstructure in TaC_y carbide includes two arms k ₅ ⁽⁶⁾ ≈ 0.473b₂ and k ₅ ⁽⁵⁾ = ?k ₅ ⁽⁶⁾ of the {k₅} star and arms of the {k₄} and {k₃} stars. The translation period of the incommensurate phase in the [1–11]_B1 direction is 8.9–9.1 nm, which is larger than that in the commensurate phase M₆C₅ by a factor of about 18.     

The disorder-order transition in cubic vanadium monoxide with vacancies in the metal sublattice

The disorder-order transition in cubic vanadium monoxide VO_y (y = 1.29, 1.30) possessing a B1 type structure and containing vacancies only in the metal sublattice has been studied by X-ray diffraction and symmetry analyses. It is established that the formation of a tetragonal (space group I4₁/amd) ordered V₅₂O₆₄ phase in cubic vanadium monoxide VO_y proceeds in the form of the first-order phase transition via a channel involving 22 nonequivalent superstructural vectors of four stars ({k ₁₀}, {k ₄}, {k ₃}, and {k ₂}). The distribution function of V atoms in the tetragonal V₅₂O₆₄ superstructure is calculated, and it is found that the real ordered V_51.6O₆₄ phase exhibits significant atomic displacements. The boundaries of the domain of existence of the V₅₂O₆₄ phase at 54–60% O are determined in the phase diagram of the V-O system.     

Some exact solutions of the local induction equation for the motion of a vortex in a Bose–Einstein condensate with a Gaussian density profile

The dynamics of a vortex filament in a Bose–Einstein condensate whose equilibrium density in the reference frame rotating at the angular velocity Ω is Gaussian with the quadratic form r·D?r has been considered. It has been shown that the equation of motion of the filament in the local-induction approximation permits a class of exact solutions in the form R(β, t) = βM(t) + N(t) of a straight vortex, where β is the longitudinal parameter and is the time. The vortex slips over the surface of an ellipsoid, which follows from the conservation laws N · D?N=C ₁ and M · D?N=C ₀=0. The equation of the evolution of the tangential vector M(t) appears to be closed and has integrals of motion M ·D?M=C ₂ and (|M| ? M· G?Ω) = C, with the matrix G? = 2(I?TrD? ? D?)^?1. Crossing of the respective isosurfaces specifies trajectories in the phase space.     

Substituent Dependent Optical Properties of <Emphasis Type="Italic">p</Emphasis>-phenyl Substituted ethenyl-<Emphasis Type="Italic">E</Emphasis>-thiophenes

Various electron donor and acceptor substituted (NO₂, CN, Cl, H, OCH₃, NH₂) p-phenyl ethenyl-E- thiophenes (1–6) were synthesized and substituent dependent optical properties (dipole moment, transition dipole moment, oscillator strength, optical band gap, hyperpolarizability) were studied using Solvatochromism and Density functional theory. It is shown that thiophene acts as a weak electron donor in presence of an electron withdrawing p-phenyl substituent (NO₂, CN, Cl), whereas thiophene acts as a weak electron acceptor in presence of an electron donating p-phenyl substituent (OCH₃, NH₂). In comparison to ethenyl thiophene 4, the HOMO-LUMO energy band gap is decreased upon increasing the electron donating or electron withdrawing capacity of p-phenyl substituent. From the excited state dipole moment calculation, it is shown that the excited state is highly dipolar for nitro and amino compounds 1 and 6, whereas compounds 2–5 show a non-polar excited state. As compared to the ethenyl thiophene 4, the first hyperpolarizability (β) increases upon substitution either with a strong electron withdrawing or strong electron donating p-phenyl substituent. A large β value is found for p-nitro phenyl ethenyl-E-thiophene and p-amino phenyl ethenyl-E- thiophene. Overall, these studies provide useful information in understanding the optical properties of phenyl and heterocyclic based ethenyl systems.     

Meissner effect in superconductors with a finite pair momentum

The features of the Meissner effect in superconductors with a finite pairing momentum are analyzed. Response to a weak magnetic field is calculated for various cases covering a pair momentum range from q ? Δ/v ₀ to q ～ p ₀, including q = Δ₀/v ₀ (v ₀ is the velocity on the Fermi surface and Δ₀ is the order parameter at zero temperature; the system of units where ? = 1 is used). The response of a superconductor carrying the transport current at a temperature close to the critical temperature T _c is determined. It is shown that, at a certain critical momentum (current), the response parallel to the momentum vanishes and the London length is infinite. The response perpendicular to the momentum remains unchanged. The response of the superconductor in the current state at zero temperature is calculated. A new contribution to the paramagnetic current is found, and its mechanism is determined. This contribution can be large for high momenta q ～ p ₀. The Meissner effect is analyzed in detail for the state proposed by Larkin and Ovchinnikov, Zh. Éksp. Teor. Fiz. 47, 1136 (1964) [Sov. Phys. JETP 20, 762 (1964)], as well as by Fulde and Ferrel, Phys. Rev. A 135, 550 (1964). It is shown that the response parallel to the vector q is nonzero and diamagnetic. On the contrary, the response perpendicular to the momentum vanishes at the optimal momentum q ₀. The sensitivity of the Meissner effect to the fine features of the superconducting state such as the quasiparticle spectrum, coherent factors, etc. is demonstrated.     

Role of critical fluctuations in the formation of a skyrmion lattice in MnSi

The region in the H–T phase diagram near the critical temperature (T _c ) of the cubic helicoidal MnSi magnet is comprehensively studied by small-angle neutron diffraction. Magnetic field H is applied along the [111] axis. The experimental geometry is chosen to simultaneously observe the following three different magnetic states of the system: (a) critical fluctuations of a spin spiral with randomly orientated wavevector k _f , (b) conical structure with k _c ∥ H, and (c) hexagonal skyrmion lattice with k_sk ⊥ H. Both states (conical structure, and skyrmion lattice) are shown to exist above critical temperature T _c = 29 K against the background of the critical fluctuations of a spin spiral. The conical lattice is present up to the temperatures where fluctuation correlation length ξ becomes comparable with pitch of spiral d _s . The skyrmion lattice is localized near T _c and is related to the fluctuations of a spiral with correlation length ξ ≈ 2d _s , and the propagation vector is normal to the field (k_sk ⊥ H). These spiral fluctuations are assumed to be the defects that stabilize the skyrmion lattice and promote its formation.     

Influence of the ground state of the Pr<Superscript>3+</Superscript> ion on magnetic and magnetoelectric properties of the PrFe<Subscript>3</Subscript>(BO<Subscript>3</Subscript>)<Subscript>4</Subscript> multiferroic

The magnetic, magnetoelectric, and magnetoelastic properties of a PrFe₃(BO₃)₄ single crystal and the phase transitions induced in this crystal by the magnetic field are studied both experimentally and theoretically. Unlike the previously investigated ferroborates, this material is characterized by a singlet ground state of the rare-earth ion. It is found that, below T _N = 32 K, the magnetic structure of the crystal in the absence of the magnetic field is uniaxial (l ∥ c), while, in a strong magnetic field H ∥ c (H _cr ～ 43 kOe at T = 4.2 K), a Fe³⁺ spin reorientation to the basal plane takes place. The reorientation is accompanied by anomalies in magnetization, magnetostriction, and electric polarization. The threshold field values determined in the temperature interval 2–32 K are used to plot an H-T phase diagram. The contribution of the Pr³⁺ ion ground state to the parameters under study is revealed, and the influence of the praseodymium ion on the magnetic and magnetoelectric properties of praseodymium ferroborate is analyzed.     

Calculation of the Cross Sections for Neutron Scattering at Spin Waves in Helimagnets

An analytical dependence of the cross section for the small-angle scattering of polarized neutrons at spin waves in helimagnets formed because of Dzyaloshinskii—Moriya interaction in cubic crystals without an inversion center (the space group is P2₁3) is obtained. It is assumed that the dispersion of spin waves in helimagnets with the wave vector k _s polarized by a magnetic field is larger than the critical field H_C2 of the transition to the ferromagnetic phase and has the form E _q = A(q ? k _s ) + gμ_B(H ? H_С2). It is shown that the cross section for neutron scattering at the two-dimensional map of angles (θ _x , θ _y ) is two circles of the radii θ_C with the centers ±θ _S , corresponding to the Bragg angle of diffraction by a helix oriented along the applied magnetic field H. The radii of these two circles θ_C are directly related to the stiffness of spin waves A of the magnetic system and depends on the applied magnetic field: \(\theta _C^2 = \theta _0^2 - \frac{{g{\mu _B}H}}{{{E_n}}}{\theta _0}\), where \({\theta _0} = \frac{{{h^2}}}{{2A{m_n}}}\) and E _n and m _n are the neutron energy and mass. It is shown that the scattering cross section depends on the neutron polarization, which is evidence of the chiral character of spin waves in the Dzyaloshinskii—Moriya helimagnets even in the completely polarized phase. The cases of neutron scattering at magnons where θ₀ ≤ θ _S and θ _S ≥ θ₀ are considered. The case of neutron scattering at spin waves in helimagnets is compared with analogous scattering at ferromagnets where θ _S → 0.     

Magnetoresistance of granular YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7 − δ</Subscript> HTSC in weak magnetic field: Angular dependence

The magnetoresistance of ceramic YBa₂Cu₃O_～6.5 HTSC samples is studied as a function of the mutual orientation of the current I and external magnetic field H _ext at T = 77.3 K in magnetic fields of up to ～500 Oe. It is found that, if the demagnetization factor D is taken into account, the effective critical field of complete penetration of Josephson vortices into weak links H _c2J ^eff does not depend on the mutual orientation of I and H _ext. The lower critical field H _c1A ^eff associated with the beginning of penetration of Abrikosov vortices into superconducting grains increases substantially with the angle between I and H _ext. The strongest variation with the mutual orientation of I and H _ext is exhibited by the critical field of the Bragg glass-vortex glass first-order phase transition H _BG-VG ^eff and by the magnetoresistance jump at this phase transition.     

Analytic Structure of Many-Body Coulombic Wave Functions

We investigate the analytic structure of solutions of non-relativistic Schrödinger equations describing Coulombic many-particle systems. We prove the following: Let ψ(x) with \({{\bf x} = (x_{1},\dots, x_{N})\in \mathbb {R}^{3N}}\) denote an N-electron wavefunction of such a system with one nucleus fixed at the origin. Then in a neighbourhood of a coalescence point, for which x ₁ = 0 and the other electron coordinates do not coincide, and differ from 0, ψ can be represented locally as ψ(x) = ψ ⁽¹⁾(x) + |x ₁|ψ ⁽²⁾(x) with ψ ⁽¹⁾, ψ ⁽²⁾ real analytic. A similar representation holds near two-electron coalescence points. The Kustaanheimo-Stiefel transform and analytic hypoellipticity play an essential role in the proof.     

Ordering of the lowest tungsten carbide W<Subscript>2</Subscript>C

Atomic-vacancy ordering of the lowest tungsten carbide W₂C with the basis hexagonal structure of the L’3 type is analyzed by neutron and x-ray diffraction studies. It is found that the trigonal phase ?-W₂C (space group \(P\bar 3\) 1m) is the only ordered phase in the temperature range from ～2700 to 1370 K. The disorder-order phase transition channel associated with the formation of the trigonal ?-W₂C phase is found to include three superstructure vectors k ₁₅ ⁽¹⁾ , k ₁₅ ⁽²⁾ , and k ₁₇ ⁽¹⁾ of two stars {k ₁₅} and {k ₁₇}. The distribution function of the carbon atoms in the trigonal ?-W₂C superstructure is calculated.     

Specific Heat Anomalies in Solids Described by a Multilevel Model

In the field of condensed matter physics, specific heat measurements can be considered as a pivotal experimental technique for characterizing the fundamental excitations involved in a certain phase transition. Indeed, phase transitions involving spin (de Souza et al. Phys. B Condens. Matter 404, 494 (2009) and Manna et al. Phys. Rev. Lett. 104, 016403 (2010)), charge (Pregelj et al. Phys. Rev. B 82, 144438 (2010)), lattice (Jesche et al. Phys. Rev. B 81, 134525 (2010)) (phonons) and orbital degrees of freedom, the interplay between ferromagnetism and superconductivity (Jesche et al. Phys. Rev. B 86, 020501 (2012)), Schottky-like anomalies in doped compounds (Lagos et al. Phys. C Supercond. 309, 170 (1998)), electronic levels in finite correlated systems (Macedo and Lagos J. Magn. Magn. Mater. 226, 105 (2001)), among other features, can be captured by means of high-resolution calorimetry. Furthermore, the entropy change associated with a first-order phase transition, no matter its nature, can be directly obtained upon integrating the specific heat over T, i.e., C(T)/T, in the temperature range of interest. Here, we report on a detailed analysis of the two-peak specific heat anomalies observed in several materials. Employing a simple multilevel model, varying the spacing between the energy levels Δ_i = (E_i?E₀) and the degeneracy of each energy level g_i, we derive the required conditions for the appearance of such anomalies. Our findings indicate that a ratio of \({\Delta }_{2}/{\Delta }_{1}\thickapprox \) 10 between the energy levels and a high degeneracy of one of the energy levels define the two-peaks regime in the specific heat. Our approach accurately matches recent experimental results. Furthermore, using a mean-field approach, we calculate the specific heat of a degenerate Schottky-like system undergoing a ferromagnetic (FM) phase transition. Our results reveal that as the degeneracy is increased the Schottky maximum in the specific heat becomes narrow while the peak associated with the FM transition remains unaffected.     

Phase diagram of a surface superconductor in parallel magnetic field

The universal phase diagram of a 2D surface superconductor with generic Rashba interaction in a parallel magnetic field is found. In addition to the uniform BCS state, we find two inhomogeneous superconductive states, the stripe phase with Δ (r) ∝ cos(Qr) at high magnetic fields, and a new “helical” phase with Δ(r) ∝ exp(iQr) which intervenes between the BCS state and stripe phase at an intermediate magnetic field and temperature. We prove that the ground state for helical phase carries no current.     

Synthesis,structural, and spectroscopic (FT-IR,NMR, and UV) Characterization of 1-(Cyclohexylmethyl)-2-(pyridin-2-yl)-1<Emphasis Type="Italic">H</Emphasis>-benzo[<Emphasis Type="Italic">d</Emphasis>]imidazole by experimental techniques and quantum chemical calculations

The title compound (II), 1-(cyclohexylmethyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole (C₁₉H₂₁N₃), was synthesized via N-alkylation of 2-(pyridin-2-yl)-1H-benzo[d]imidazole (I). Both compounds I and II were characterized by IR, NMR and UV-vis spectroscopy. Solid-state structure of compound II was determined by single-crystal X-ray diffraction technique. Furthermore, quantum chemical calculations employing density functional theory (DFT/B3LYP) method with the 6–311++G(d, p) basis set were performed for the theoretical characterization of the molecular and spectroscopic features of the compounds. Using the TD-DFT method, electronic absorption spectra of the compounds have been predicted at same level. When the obtained results were compared with the experimental findings, it is seen that theoretical results support the experimental data and a good agreement exists between them.     

Thermodynamics of the frustrated J<Subscript>1</Subscript>-J<Subscript>2</Subscript> Heisenberg ferromagnet on the body-centered cubic lattice with arbitrary spin

We use the spin-rotation-invariant Green’s function method as well as thehigh-temperature expansion to discuss the thermodynamic properties of the frustratedspin-S J ₁-J ₂ Heisenbergmagnet on the body-centered cubic lattice. We consider ferromagnetic nearest-neighborbonds J ₁<0 and antiferromagnetic next-nearest-neighbor bonds J ₂ ≥ 0 andarbitrary spin S. We find that the transition point\hbox{$J_2^c$}J2cbetween the ferromagnetic ground state and theantiferromagnetic one is nearly independent of the spin S, i.e., it is very closeto the classical transition point\hbox{$J_2^{c,{\rm clas}}= \frac{2}{3}|J_1|$}J2c,clas=23|J1|. At finite temperatures we focus on the parameterregime\hbox{$J_2<J_2^c$}J2<J2cwith a ferromagnetic ground-state. We calculate theCurie temperature T _C (S, J ₂)and derive an empirical formula describing the influence of the frustration parameterJ ₂ and spin S on T _C . We find that theCurie temperature monotonically decreases with increasing frustration J ₂, where veryclose to\hbox{$J_2^{c,{\rm clas}}$}J2c,clasthe T _C (J ₂)-curveexhibits a fast decay which is well described by a logarithmic term\hbox{$1/\textrm{log}(\frac{2}{3}|J_1|-J_{2})$}1/log(23|J1|?J2). To characterize the magnetic ordering below and aboveT _C , we calculate thespin-spin correlation functions ?S ₀ S _R ?, the spontaneous magnetization, the uniform static susceptibilityχ ₀ as well as the correlation lengthξ.Moreover, we discuss the specific heat C _V and the temperaturedependence of the excitation spectrum. As approaching the transition point\hbox{$J_2^c$}J2csome unusual features were found, such as negativespin-spin correlations at temperatures above T _C even though theground state is ferromagnetic or an increase of the spin stiffness with growingtemperature.     

Penetration of a magnetic field into the YBa<Subscript>2</Subscript>Cu<Subscript>3</Subscript>O<Subscript>7−δ</Subscript> high-temperature superconductor: Magnetoresistance in weak magnetic fields

The penetration of a magnetic field into superconducting grains and weak links of YBa₂Cu₃O_7?δ ceramic high-temperature superconductors is investigated using measurements of the transverse and longitudinal magnetoresistances at T=77.3 K and 0≤H≤～500 Oe as a function of the transport current in the range ～0.01≤I/I _c ≤～0.99. The effects associated with the complete penetration of Josephson vortices into weak links of the high-temperature superconductor in magnetic fields H_c2J, the onset of penetration of Abrikosov vortices into superconducting grains in magnetic fields H_c1A, and the first-order transition from the Bragg glass phase to the vortex glass phase in fields H_BG-VG are revealed and interpreted. The I-H phase diagrams YBa₂Cu₃O_7?δ high-temperature superconductors are constructed for I ⊥ H and I ‖ H.     

Electron and nuclear magnetic resonances associated with magnetoelectric and antiferroelectric interactions in the exchange-noncollinear (“square”) chiral antiferromagnet Nd<Subscript>2</Subscript>CuO<Subscript>4</Subscript> and their behavior in chiral phase transitions

Experiments with the tetragonal antiferromagnet Nd₂CuO₄ in the temperature range 1.5 K < T < T _N = 245 K show that the magnetic moments of Cu²⁺ possess an exchange-noncollinear magnetic structure of the “square” type, which has the form of an exchange doublet whose components exhibit different chiralities (Γ₄ and Γ₅ phases). Between these phases, consecutive phase transitions Γ₄ ? Γ₅ ? Γ₄ with a change in chirality take place at temperatures T₁ = 30 K and T₂ = 70 K. The electron and nuclear magnetic resonances (natural frequencies and susceptibilities) associated with excitation of magnons (due to the magnetoelectric and antiferroelectric interactions) by an ac electric field E(t), as well as a variable magnetic field H(t) applied in the case of a constant electric field E⁰, are calculated. It is predicted that nuclear magnetic resonance is excited by an ac electric field at frequencies determined by hyperfine fields of the sublattices. The change in the resonance frequencies upon the above chiral phase transitions are analyzed (being first-order phase transitions, these transitions possess a number of features associated with the chirality of the magnetic structures).     

Microwave-assisted Synthesis and antifungal activity of coumarin[8,7-<Emphasis Type="BoldItalic">e</Emphasis>][1,3]oxazine derivatives

The synthesis of novel coumarin[8,7-e][1,3]oxazine derivatives through a microwave-assisted three-component one-pot Mannich reaction is described in this study. All the target compounds were evaluated in vitro for their antifungal activity against Botrytis cinerea, Colletotrichum capsici, Alternaria solani, Gibberella zeae, Rhizoctonia solani, and Alternaria mali. The preliminary bioassays showed that 5e, 5m, and 5s exhibited good antifungal activity and the most active compound was 5m with an \(\hbox {EC}_{50}\) value as low as 2.1 nM against Botrytis cinerea.