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Zinenko, V. I.
Ab initio calculation of the ferroelectric phase transition in disordered and ordered PbSc0.5Ta0.5O3 and PbSc0.5Nd0.5O3 solid solutions with the use of a model Hamiltonian / V. I. Zinenko, N. G. Zamkova // J. Exp. Theor. Phys. - 2008. - Vol. 106, Is. 3. - P. 542-549, DOI 10.1134/S1063776108030138. - Cited References: 17 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
RELAXOR FERROELECTRICS
   PEROVSKITES
   BATIO3
   PBTIO3
Кл.слова (ненормированные):
Approximation theory -- Ferroelectric materials -- Hamiltonians -- Mathematical models -- Monte Carlo methods -- Phase transitions -- Ferroelectric phase transition -- Gordon-Kim model -- Local-mode approximation -- Solid solutions
Аннотация: To describe the ferroelectric phase transition in ordered and disordered PbSc0.5Ta0.5O3 (PST) and PbSc0.5Nd0.5O3 (PSN) solid solutions, a model Hamiltonian is written in the local-mode approximation, in which long-range dipole-dipole and short-range interactions of local modes are taken into account. The Hamiltonian parameters are determined from the set of energies of a series of distorted structures, calculated within the nonempirical generalized Gordon-Kim model. The statistical mechanics of the systems with a model Hamiltonian is investigated by the Monte Carlo method. It is revealed that PSN solid solutions undergo a transition to the ferroelectric rhombohedral phase through an intermediate phase, existing in a narrow temperature range. PST solid solutions undergo a ferroelectric phase transition directly from the paraelectric cubic to the ferroelectric rhombohedral phase.

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Держатели документа:
[Zinenko, V. I.
Zamkova, N. G.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Зиненко, Виктор Иванович
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Valkov, V. V.
Application of indefinite metric for transition to bose description of Su(3) hamiltonians - excitation spectrum of spin nematics / V. V. Valkov, T. A. Valkova // Zhurnal Eksperimentalnoi Teor. Fiz. - 1991. - Vol. 99, Is. 6. - P. 1881-1897. - Cited References: 37 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
BIQUADRATIC EXCHANGE
   PHASE-TRANSITIONS
   DIAGRAM TECHNIQUE
   MAGNETISM
   FIELD
   STATE
Аннотация: A procedure is developed for a correct transition to the Bose representation for quantum SU(3) Hamiltonians. The analysis is carried out for a spin nematic by applying the indefinite metric formalism and pseudo-Hubbard operators. An important aspect of the theory is that the finiteness of the number of physical states is taken into account. This is attained by introducing and consistently taking into account the metric operator for which purpose a simple expression in terms of Bose operators is suggested. It is shown that in this approach the quantum Bose analog of the Hamiltonian is an Hermitian operator. This circumstance removes a number of principle contradictions which appeared previously on application of the Bose analog of the Hamiltonian derived by virtually identifying the Hubbard and pseudo-Hubbard operators and ignoring the finiteness of the number of physical states. The integral equations defining the chief characteristics of the system are obtained and solved analytically for the spin-nematic state of a magnet with S = 1 and by taking into account anharmonic effects. This permits one to write down in nonlinear theory explicit expressions for the two branches of the quantum excitation spectrum. The character of the renormalization of the spectrum parameters due to the presence of zero-point quantum oscillations is studied. The renormalization of the critical field on transition of the system from the spin nematic state is calculated analytically.

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Доп.точки доступа:
Valkova, T. A.; Вальков, Валерий Владимирович
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Application of the new LDA plus GTB method for the band structure calculation of n-type cuprates / M. M. Korshunov [et al.] // Physica B. - 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P. 459-460, DOI 10.1016/j.physb.2006.01.340. - Cited References: 11 . - ISSN 0921-4526

РУБ Physics, Condensed Matter
Рубрики:
SUPERCONDUCTIVITY
PARAMETERS
DENSITY
Кл.слова (ненормированные):
strongly correlated electron systems -- superconductivity -- n-type cuprates -- n-type cuprates -- Strongly correlated electron systems -- Superconductivity -- Electronic structure -- Hamiltonians -- Mathematical models -- Oxide superconductors -- Perturbation techniques -- Intercluster hopping -- N-type cuprates -- Strongly correlated electron systems -- Band structure
Аннотация: A novel hybrid scheme is proposed and applied for band structure calculations of undoped n-type cuprate Nd2CuO4. The ab initio LDA calculation is used to obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within this model is calculated by the generalized tight-binding (GTB) method, that combines the exact diagonalization of the model Hamiltonian for a small cluster with perturbation treatment of the intercluster hopping and interactions. For Nd2CuO4, this scheme results in charge transfer insulator with value of the gap and band dispersion in agreement to the experimental data. (c) 2006 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute of Metal Physics, Russian Academy, Sciences-Ural Division, GSP-170, 620219 Yekaterinburg, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Nekrasov, I. A.; Pchelkina, Z. V.; Anisimov, V. I.
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Rotter, I.
Avoided level crossings, diabolic points, and branch points in the complex plane in an open double quantum dot / I. . Rotter, A. F. Sadreev // Phys. Rev. E. - 2005. - Vol. 71, Is. 3. - Ст. 36227, DOI 10.1103/PhysRevE.71.036227. - Cited References: 49 . - ISSN 1063-651X

РУБ Physics, Fluids & Plasmas + Physics, Mathematical
Рубрики:
BERRY TOPOLOGICAL PHASE
   EXCEPTIONAL POINTS
   GEOMETRIC PHASES
   NUCLEAR REACTIONS
   RESONANCE STATES
   UNIFIED THEORY
   S-MATRIX
   CONTINUUM
   REPULSION
   INTERFEROMETER
Кл.слова (ненормированные):
Branch points in the complex plane (BPCP) -- Diabolic points (DP) -- Geometric phases -- Riemann sheets -- Eigenvalues and eigenfunctions -- Electron energy levels -- Functions -- Hamiltonians -- Quantum theory -- Resonance -- Topology -- Semiconductor quantum dots
Аннотация: We study the spectrum of an open double quantum dot as a function of different system parameters in order to receive information on the geometric phases of branch points in the complex plane (BPCP). We relate them to the geometrical phases of the diabolic points (DPs) of the corresponding closed system. The double dot consists of two single dots and a wire connecting them. The two dots and the wire are represented by only a single state each. The spectroscopic values follow from the eigenvalues and eigenfunctions of the Hamiltonian describing the double dot system. They are real when the system is closed, and complex when the system is opened by attaching leads to it. The discrete states as well as the narrow resonance states avoid crossing. The DPs are points within the avoided level crossing scenario of discrete states. At the BPCP, width bifurcation occurs. Here, different Riemann sheets evolve and the levels do not cross anymore. The BPCP are physically meaningful. The DPs are unfolded into two BPCP with different chirality when the system is opened. The geometric phase that arises by encircling the DP in the real plane, is different from the phase that appears by encircling the BPCP. This is found to be true even for a weakly opened system and the two BPCP into which the DP is unfolded.

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Держатели документа:
Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden
Astafev Krasnoyarsk Pedag Univ, Krasnoyarsk 660049, Russia
ИФ СО РАН
Max-Planck-Inst. Physik Komplexer S., D-01187 Dresden, Germany
Kirensky Institute of Physics, 660036, Krasnoyarsk, Russian Federation
Dept. of Physics and Measurement, Technology Linkoping University, S-581 83 Linkoping, Sweden
Astafev Krasnoyarsk Pedagogical U., 660049 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович
}
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    Bloch oscillations of Bose-Einstein condensates: Quantum counterpart of dynamical instability / A. R. Kolovsky, H. J. Korsch, E. M. Graefe // Phys. Rev. A. - 2009. - Vol. 80, Is. 2, DOI 10.1103/PhysRevA.80.023617. - Cited Reference Count: 35. - Гранты: We thank D. Witthaut and F. Trimborn for valuable comments. Support from the Deutsche Forschungsgemeinschaft via the Graduiertenkolleg "Nichtlineare Optik und Ultrakurzzeitphysik" is gratefully acknowledged. - Финансирующая организация: Deutsche Forschungsgemeinschaft . - ISSN 1050-2947
Рубрики:
OPTICAL LATTICE
   ATOMS
Кл.слова (ненормированные):
Bloch dynamics -- Bloch oscillations -- Bogoliubov -- Bose-Einstein condensates -- Chaotic dynamics -- Cold atoms -- Decoherence -- Dinger equation -- Dynamical instabilities -- Equipartition -- Hubbard -- Mean-field -- Optical lattices -- Quantum counterpart -- Quasi-one-dimensional -- Quasimomentum -- Bose-Einstein condensation -- Hamiltonians -- Nonlinear equations -- Steam condensers -- Stability
Аннотация: We study the Bloch dynamics of a quasi-one-dimensional Bose-Einstein condensate of cold atoms in a tilted optical lattice modeled by a Hamiltonian of Bose-Hubbard type. The corresponding mean-field system described by a discrete nonlinear Schrodinger equation can exhibit dynamical (or modulation) instability due to chaotic dynamics and equipartition over the quasimomentum modes. It is shown that these phenomena are related to Bogoliubov's depletion of the Bose-Einstein condensate and a decoherence of the condensate in the many-particle description. Three types of dynamics are distinguished: (i) decaying oscillations in the region of dynamical instability and (ii) persisting Bloch oscillations or (iii) periodic decay and revivals in the region of stability.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660036, Russia
Tech Univ Kaiserslautern, Fachbereich Phys, D-67653 Kaiserslautern, Germany

Доп.точки доступа:
Kolovsky, A. R.; Коловский, Андрей Радиевич; Korsch, H. J.; Graefe, E. M.
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Ovchinnikov, S. G.
Covalence-induced stabilization of an intermediate-spin state and the magnetic susceptibility of LaCoO3 / S. G. Ovchinnikov, Y. S. Orlov // J. Exp. Theor. Phys. - 2007. - Vol. 104, Is. 3. - P. 436-444, DOI 10.1134/S1063776107030090. - Cited References: 24. - This work was supported by the program of the Division of Physical Sciences of the Russian Academy of Sciences “Strong Electronic Correlations,” the integration project SORAN-URORAN (grant no. 74), and the Krasnoyarsk krai Science Foundation . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
TRANSITION
Кл.слова (ненормированные):
Band structure -- Electron transitions -- Ground state -- Hamiltonians -- Magnetic susceptibility -- Magnetic variables measurement -- Spin dynamics -- Covalence induced stabilization -- Diagnoalization -- Orbital degeneracy -- Spin states -- Lanthanum compounds
Аннотация: The energies of terms with spins S = 0, 1, 2 have been found using exact diagonalization of the multielectron Hamlitonian of a multiband pd model for the CoO6 cluster. Co (e(g) orbital)-O hops, which form the covalent sigma bond, are shown to decrease the energy of the state (IS) with an intermediate spin (S = 1) as compared to the energy of the state (LS) with a low spin (S = 0). An analogue of the Tanabe-Sugano diagram that takes into account the covalence of the CoO6 cluster is constructed. The state with S = 1 is shown to be a ground state at certain model parameters. An increase in temperature is established to decrease the crystal field and, thus, favors the transition of the ground state from LS to IS at T = 100 K and the transition of the IS ground state to a state (HS) with a high spin (S = 2) at T = 550 K. The magnetic susceptibility of LaCoO3 is calculated with allowance for the LS, IS, and HS states and for the fact that the HS state exhibits threefold orbital degeneracy of the t(2g) shell, which results in an effective orbital moment L = 1 and the importance of spin-orbit interaction. The behavior of this magnetic susceptibility agrees well with the experimental chi(T) dependence of LaCoO3.

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Публикация на русском языке Овчинников, Сергей Геннадьевич. Стабилизация состояния с промежуточным спином за счет ковалентности и особенности магнитной восприимчивости в LaCoO[3] [Текст] / С. Г. Овчинников, Ю. С. Орлов // Журн. эксперим. и теор. физ. - 2007. - Т. 131 Вып. 3. - С. 485-493

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
Krasnoyarsk State Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademogorodok, Krasnoyarsk, 660036, Russian Federation
Krasnoyarsk State University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Orlov, Yu. S.; Орлов, Юрий Сергеевич; Овчинников, Сергей Геннадьевич
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Zobov, V. E.
Effect of intramolecular interaction on time growth of second moment of multiple quantum NMR in solids / V. E. Zobov, A. A. Lundin // INTERNATIONAL CONFERENCE ON RESONANCES IN CONDENSED MATTER: ALTSHULER100. Ser. Journal of Physics Conference Series : IOP PUBLISHING LTD, 2011. - Vol. 324: International Conference on Resonances in Condensed Matter (JUN 21-25, 2011, Kazan, RUSSIA). - Ст. 12010, DOI 10.1088/1742-6596/324/1/012010. - Cited References: 12 . - ISBN 1742-6588

РУБ Physics, Condensed Matter
Рубрики:
COHERENCES
DYNAMICS
Кл.слова (ненормированные):
Dipole dipole interactions -- Double-quantum -- Intramolecular interactions -- Multiple quantum NMR -- Nuclear spin system -- Quantum spectrum -- Rate increase -- Second moments -- Solids containing methyl groups -- Time dependence -- Functional groups -- Quantum optics -- Solids -- Spin dynamics -- Hamiltonians
Аннотация: The time dependence of the NMR multiple quantum spectrum in solids containing methyl groups is investigated. We studied both of types of the nuclear spin systems: namely linking by secular part of the mutual dipole-dipole interaction and linking by effective double quantum Hamiltonian. It is revealed for the first type of systems the rate with the time of the growing up of the second moment when intramolecular interaction is present becomes less in compare with situation when a strong intramolecular interaction is absent. On the contrary for the second type of Hamiltonian the above rate increases.

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Держатели документа:
[Zobov, V. E.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russian Federation
N.N. Semenov Institute of Chemical Physics, RAS, 117977, Moscow, Russian Federation

Доп.точки доступа:
Lundin, A. A.; Зобов, Владимир Евгеньевич
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Korshunov, M. M.
Effective Hamiltonian and the properties of normal and superconductive phases of n-type cuprates / M. M. Korshunov, S. G. Ovchinnikov, A. V. Sherman // Physica B. - 2005. - Vol. 359: International Conference on Strongly Correlated Electron Systems (SCES 04) (JUL 26-30, 2004, Karlsruhe, GERMANY). - P. 521-523, DOI 10.1016/j.physb.2005.01.134. - Cited References: 13 . - ISSN 0921-4526

РУБ Physics, Condensed Matter
Рубрики:
MODEL
SYMMETRY
Кл.слова (ненормированные):
strong electron correlations -- superconductivity -- multiband p-d model -- n-type cuprates -- Multiband p-d model -- n-type cuprates -- Strong electron correlations -- Superconductivity -- Antiferromagnetism -- Correlation theory -- Fermi surface -- Hamiltonians -- Mathematical models -- Microscopic examination -- Oxide superconductors -- Phase diagrams -- Semiconductor doping -- Generalized tight-binding (GTB) -- Multiband p-d models -- N-type cuprates -- Single electron correlations -- Superconductivity
Аннотация: In the framework of the effective low-energy model for high-T-c, cuprates with account for three-center interaction terms and spin fluctuations the properties of normal and superconducting phases of n-type cuprates are investigated. Microscopic model parameters were obtained from ARPES data in undoped compounds. Obtained evolution of the chemical potential with doping, Fermi surface at optimal doping, and T-c(x) phase diagram are in remarkably good agreement with the experiment. (c) 2005 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Univ Tartu, Inst Phys, EE-51014 Tartu, Estonia
ИФ СО РАН
LV Kirensky Institute of Physics, Siberian Br. of Russ. Acad. of Sci., Krasnoyarsk, 660036, Russian Federation
Institute of Physics, University of Tartu, Riia 142, 51014 Tartu, Estonia

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Sherman, A. V.; Коршунов, Максим Михайлович
}
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Ovchinnikov, S. G.
Effective Hamiltonian for HTSC cuprates taking into account electron-phonon interaction in the strong-correlation regime / S. G. Ovchinnikov, E. I. Shneider // J. Exp. Theor. Phys. - 2005. - Vol. 101, Is. 5. - P. 844-855, DOI 10.1134/1.2149064. - Cited References: 38. - This work was supported by the Russian Foundation for Basic Research (project no. 03-02-16124), the program “Quantum Macrophysics” of the Presidium of the Russian Academy of Sciences, the Foundation in Support for Russian Science, the Foundation of Noncommercial . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
HIGH-TEMPERATURE SUPERCONDUCTORS
   D-WAVE SUPERCONDUCTIVITY
   T-C
   DISPERSION
   SCATTERING
   OXIDES
   STATE
   MODEL
Кл.слова (ненормированные):
Electron beams -- Electronic structure -- Optimization -- Phonons -- Electron correlations -- Hubbard X operators -- Spin-photon interaction -- Hamiltonians
Аннотация: Electron-phonon interaction is sequentially derived from a realistic p-d multiband model for the cuprates under conditions of strong electron correlations. The electronic structure is described using the representation of the Hubbard X operators in a generalized tight-binding method. Dependences of the diagonal and off-diagonal (on lattice sites) matrix elements of electron-phonon interaction on the wavevectors are found for three phonon modes, namely, breathing, apical breathing, and bending modes. The interactions of the breathing and bending modes with electrons are shown to contribute to the formation of kinks in the (0; 0)-(pi; pi) and (0; 0)-(pi; 0) directions, respectively. A low-energy t-J* model with phonons is developed; apart from electron-phonon interaction, it also includes spin-phonon interaction. The elimination of phonons gives an effective electron-electron interaction that depends on the occupation number of a multielectron term and on the carrier concentration due to strong electron correlations. (c) 2005 Pleiades Publishing, Inc.

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Публикация на русском языке Овчинников, Сергей Геннадьевич. Эффективный гамильтониан для ВТСП-купратов с учетом электрон-фононного взаимодействия в режиме сильных корреляций [Текст] / С. Г. Овчинников, Е. И. Шнейдер // Журнал экспериментальной и теоретической физики. - 2005. - Т. 128 Вып. 5. - С. 974-986

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Akademgorodok, 660036, Russian Federation

Доп.точки доступа:
Shneider, E. I.; Шнейдер, Елена Игоревна; Овчинников, Сергей Геннадьевич
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10.

Effective parameters of the band dispersion in n-type high-T-c superconductors / M. M. Korshunov [et al.] // Physica C. - 2004. - Vol. 402, Is. 4. - P. 365-370, DOI 10.1016/j.physc.2003.10.017. - Cited References: 32 . - ISSN 0921-4534

РУБ Physics, Applied
Рубрики:
DOPED CUPRATE SUPERCONDUCTORS
   TIGHT-BINDING METHOD
   QUASI-PARTICLES
   COPPER OXIDES
   LA2-XSRXCUO4
   SYMMETRY
   MODEL
   EVOLUTION
   ORDER
Кл.слова (ненормированные):
high-T-c superconductivity -- electronic correlations -- electron-doped cuprates -- Electron-doped cuprates -- Electronic correlations -- High-Tc superconductivity -- Approximation theory -- Atomic physics -- Band structure -- Binding energy -- Charge transfer -- Correlation methods -- Doping (additives) -- Electronic structure -- Hamiltonians -- Mathematical models -- Mathematical operators -- Oxide superconductors -- Perturbation techniques -- Photoelectron spectroscopy -- Atomic orbitals -- Conduction band -- Electron doped cuprates -- Electron spins -- Valence band -- High temperature superconductors
Аннотация: The electronic structure of electron-doped cuprates is discussed in the regions of small and optimal doping. For optimal doping we obtain the parameters from a simple tight-binding analysis by fitting ARPES data, and for small doping we study the band structure by the generalized tight-binding method that takes strong electronic correlations into account explicitly. This method has also reproduced well the ARPES data for small doping. The effective low-energy Hamiltonian is the t-t'-J model with hopping parameters t and t'. We compare both methods and find very good agreement for the value of t while t' is different because it is caused by the different contribution of the short-range spin correlations. (C) 2003 Elsevier B.V. All rights reserved.

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Держатели документа:
Free Univ Berlin, Inst Theoret Phys, D-14195 Berlin, Germany
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Science, Krasnoyarsk 660036, Russian Federation
Inst. fur Theoretische Physik, Freie Universitat Berlin, Arnimallee 14, D-14195 Berlin, Germany

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Manske, D.; Eremin, I.
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