A detailed study of charge transport in the paramagnetic phase of the cage-cluster dodecaboride Ho0.8Lu0.2B12 with an instability both of the fcc lattice (cooperative Jahn−Teller effect) and the electronic structure (dynamic charge stripes) was carried out at temperatures 1.
View Article and Find Full Text PDFJ Phys Condens Matter
November 2021
Precise angle-resolved magnetoresistance (ARMR) and magnetization measurements have revealed (i) strong charge transport and magnetic anisotropy and (ii) emergence of a huge number of magnetic phases in the ground state of isotopicallyB-enriched single crystals of TmBantiferromagnetic (AF) metal with fcc crystal structure and dynamic charge stripes. We analyze for the first time the angular-phase diagrams of AF state of TmBreconstructed from experimental ARMR and magnetization data arguing that the symmetry lowering leads to the appearance of several radial phase boundaries between different phases in the AF state. It is proposed that the suppression of the indirect Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange along ⟨110⟩ directions between nearest neighboring magnetic moments of Tmions and subsequent redistribution of conduction electrons to quantum fluctuations of the electron density (dynamic stripes) are the main factors responsible for the anisotropy.
View Article and Find Full Text PDFRandomness and frustration are believed to be two crucial criteria for the formation of spin glass state. However, the spin freezing occurs in some well-ordered crystals below the related temperature T due to the instability of each spin state, which induces the variation of either magnetic moment value or exchange energy. Here we explore the new mechanism of the in-site originated disorder in antiferromagnets GdLaB and GdB, which is caused by the random mutual shifts of Gd spins from the centrally symmetrical positions in the regular cubic lattice.
View Article and Find Full Text PDFSeebeck effect in the crystalline samples of EuYbB(= 0, 0.082, 0.127, 0.
View Article and Find Full Text PDFIn this paper, we suggest a new computational technique for the minimization of Hylleraas' functional with additional orthogonality restrictions imposed on the desired vectors. It is shown how Hylleraas' constrained problem can be reduced to an unconstrained one by minimal computational efforts. The asymptotic projection (AP) method proposed earlier to minimize Rayleigh's quotient subject to some orthogonality restrictions is applied to construct a modified Hylleraas' functional whose solution fulfills the required constraints automatically.
View Article and Find Full Text PDFA variational solution to the eigenvalue problem for the Hamiltonian H, with orthogonality restrictions on eigenvectors of H to the vector H ∣ Φ〉, where ∣Φ〉 is an approximate ground-state vector, is proposed as a means to calculate excited states. The asymptotic projection (AP) method proposed previously is further developed and applied to solve this problem in a simple way. We demonstrate that the AP methodology does not require an evaluation of the matrix elements of operator H, whereas conventional approaches-such as the elimination of off-diagonal Lagrange multipliers method, projection operator techniques, and other methods-do.
View Article and Find Full Text PDFJ Phys Condens Matter
February 2019
Accurate low temperature charge transport measurements in combination with high-precision x-ray diffraction experiments have allowed detection of the symmetry lowering in the single domain TmYbB crystals that belong to the family of dodecaborides with metal-insulator transition. Based on the fine structure analysis we discover the formation of dynamic charge stripes within the semiconducting matrix of TmYbB. The charge dynamics in these conducting nano-size channels is characterized by broad-band optical spectroscopy that allowed estimating the frequency (~2.
View Article and Find Full Text PDFIntroducing of topological insulator concept for fluctuating valence compound - samarium hexaboride - has recently initiated a new round of studies aimed to clarify the nature of the ground state in this extraordinary system with strong electron correlations. Here we discuss the data of magnetic resonance in the pristine single crystals of SmB measured in 60 GHz cavity experiments at temperatures 1.8-300 K.
View Article and Find Full Text PDFSpatial anisotropy generated spontaneously in the translationally invariant metallic phase, i.e. electron nematic effect, addresses a great challenge for both experimentalists and theoreticians.
View Article and Find Full Text PDFElectron spin resonance (ESR) in strongly correlated metals is an exciting phenomenon, as strong spin fluctuations in this class of materials broaden extremely the absorption line below the detection limit. In this respect, ESR observation in CeB provides a unique chance to inspect Ce magnetic state in the antiferroquadrupole (AFQ) phase. We apply the original high frequency (60 GHz) experimental technique to extract the temperature and angular dependences of g-factor, line width and oscillating magnetization.
View Article and Find Full Text PDFIntrinsic phase coherence between individual topologically stable knots in spin arrangement - skyrmions - is known to induce the crystalline-like structure in the A-phase of non-centrosymmetric MnSi with chiral spin-orbit interaction. Here we report the experimental evidence for two types of the skyrmion lattice (SL) inside the A-phase of MnSi, which are distinguished by different coupling to the anisotropic magnetic interactions. The transition between these SLs is shown to induce a change in magnetic scattering between isotropic MR discovered in the area inside the A-phase (the A-phase core) and anisotropic MR found on the border of the A-phase.
View Article and Find Full Text PDFSeparating between the ordinary Hall effect and anomalous Hall effect in the paramagnetic phase of Mn_{1-x}Fe_{x}Si reveals an ordinary Hall effect sign inversion associated with the hidden quantum critical (QC) point x^{*}∼0.11. The effective hole doping at intermediate Fe content leads to verifiable predictions in the field of fermiology, magnetic interactions, and QC phenomena in Mn_{1-x}Fe_{x}Si.
View Article and Find Full Text PDFIzv Akad Nauk Ser Biol
October 2015
This paper studies morphometric parameters (body weight, weight of internal organs, body size, etc.) in 170 elk of various sex and age obtained in the Vyatka taiga area in winter. A number of physiological parameters (specific metabolism and thermal conductivity, heat loss rate, etc.
View Article and Find Full Text PDFExperimental X-ray absorption spectra are extensively used to determine electronic structure of small molecules but remain difficult to exploit for proteins due to the large number of peaks within their spectra. For such complex systems, theoretical tools like quantum mechanics/molecular mechanics methodology can greatly ease the assignment of the spectra. This study presents a systematic methodology to evaluate core-ionization energies (E(ion)) in proteins with the help of the asymptotic projection approach (Glushkov and Tsaune, Z.
View Article and Find Full Text PDFJ Comput Chem
February 2014
We further develop an idea to generate a compact multireference space without first solving the configuration interaction problem previously proposed for the ground state (GS) (Glushkov, Chem. Phys. Lett.
View Article and Find Full Text PDFAn attempt to construct a multiple core-hole state within the optimized effective potential (OEP) methodology is presented. In contrast to the conventional Δ-self-consistent field method for hole states, the effects of removing an electron is achieved using some orthogonality constraints imposed on the orbitals so that a Slater determinant describing a hole state is constrained to be orthogonal to that of a neutral system. It is shown that single, double, and multiple core-hole states can be treated within a unified framework and can be easily implemented for atoms and molecules.
View Article and Find Full Text PDFThe constrained variational Hartree-Fock method for excited states of the same symmetry as the ground state [Chem. Phys. Lett.
View Article and Find Full Text PDFThis article further develops and applies a constrained optimized effective potential (COEP) approach for the practical calculations of doubly and multiply excited states of atoms and molecules. The COEP method uses the time-independent theory of pure excited states and implements a simple asymptotic projection method to take orthogonality constraints into account. We show that, in contrast with the common time-dependent density functional method, the COEP methodology is capable of treating doubly, triply, and multiply excited states and can be easily applied to both atoms and molecules.
View Article and Find Full Text PDFThis paper presents an optimized effective potential (OEP) approach based on density functional theory (DFT) for individual excited states that implements a simple method of taking the necessary orthogonality constraints into account. The amended Kohn-Sham (KS) equations for orbitals of excited states having the same symmetry as the ground one are proposed. Using a variational principle with some orthogonality constraints, the OEP equations determining a local exchange potential for excited states are derived.
View Article and Find Full Text PDFIn this paper the authors further develop and apply the direct-mapping density functional theory to calculations of the atomization energies and ionization potentials. Single-particle orbitals are determined by solving the Kohn-Sham [Phys. Rev.
View Article and Find Full Text PDFIn this paper we apply the direct-mapping density-functional theory (DFT) to open-shell systems, in order to get many-electron wave functions having the same transformation properties as the eigenstates of the exact Hamiltonians. Such a case is that of spin, where in order to get the magnetic properties, the many-particle states must be eigenstates not only of S(z) but also of S2. In this theory the Kohn and Sham [Phys.
View Article and Find Full Text PDFThere is evidence that cells respond not only to biologically active substances, but also to external mechanical effects. This is especially important for cellular elements of vascular walls and blood. Mechanical treatment cause so-called stretch-deformation of plasma membranes and forces generated by shift of plasma layers induce shear stress.
View Article and Find Full Text PDFThe possibility of the successful modification of radiation injury by chitosan with low molecular weight (10 kDa) has been established under experimental conditions. The survival of mice increased up to 72.7 and 44.
View Article and Find Full Text PDFIn experimental conditions the radioprotective properties of the placental complex Luplatex created in Scientific production complex "Biotechindustry" was studied. In experiments on mice F1(CBA x C57Bl) it was shown that Luplatex injected intraperitoneally in dose 0.5 ml 5-10 min before or after whole body gamma-irradiation with 8 Gy (LD80/30) increased the survival up to 40% as compared to the control group.
View Article and Find Full Text PDFRadiats Biol Radioecol
June 2004
The influence of chitosan molecular mass (70, 10 and 5 kDa) on its radioprotective efficiency in mice experiments was studied. It was shown that chitosans with molecular masses of 70 and 10 kDa had similar radioprotective properties. The survival of mice increased up to 73% and 87% respectively at intravenous injection 15-30 min before a whole-body exposure to 137Cs gamma-radiation at a dose of 8 Gy (Cd97/30).
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