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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Zamkova N. G.
Заглавие : 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
Разночтения заглавия :авие SCOPUS: Ab initio calculation of the ferroelectric phase transition in disordered and ordered PbSc0.5Ta0.5O3 and PbSc 0.5Nd0.5O3 solid solutions with the use of a model Hamiltonian
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2008. - Vol. 106, Is. 3. - P542-549. - ISSN 1063-7761, DOI 10.1134/S1063776108030138
Примечания : Cited References: 17
Предметные рубрики: RELAXOR FERROELECTRICS
PEROVSKITES
BATIO3
PBTIO3
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Valkov V. V., Valkova T. A.
Заглавие : Application of indefinite metric for transition to bose description of Su(3) hamiltonians - excitation spectrum of spin nematics
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz. - 1991. - Vol. 99, Is. 6. - P.1881-1897. - ISSN 0044-4510
Примечания : Cited References: 37
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Ovchinnikov S. G., Gavrichkov V. A., Nekrasov I. A., Pchelkina Z. V., Anisimov V. I.
Заглавие : Application of the new LDA plus GTB method for the band structure calculation of n-type cuprates
Разночтения заглавия :авие SCOPUS: Application of the new LDA+GTB method for the band structure calculation of n-type cuprates
Место публикации : Physica B: ELSEVIER SCIENCE BV, 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P459-460. - ISSN 0921-4526, DOI 10.1016/j.physb.2006.01.340
Примечания : Cited References: 11
Предметные рубрики: SUPERCONDUCTIVITY
PARAMETERS
DENSITY
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Rotter I., Sadreev A. F.
Заглавие : Avoided level crossings, diabolic points, and branch points in the complex plane in an open double quantum dot
Место публикации : Phys. Rev. E: AMERICAN PHYSICAL SOC, 2005. - Vol. 71, Is. 3. - Ст.36227. - ISSN 1063-651X, DOI 10.1103/PhysRevE.71.036227
Примечания : Cited References: 49
Предметные рубрики: BERRY TOPOLOGICAL PHASE
EXCEPTIONAL POINTS
GEOMETRIC PHASES
NUCLEAR REACTIONS
RESONANCE STATES
UNIFIED THEORY
S-MATRIX
CONTINUUM
REPULSION
INTERFEROMETER
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kolovsky A. R., Korsch H. J., Graefe E. M.
Заглавие : Bloch oscillations of Bose-Einstein condensates: Quantum counterpart of dynamical instability
Место публикации : Phys. Rev. A. - 2009. - Vol. 80, Is. 2. - ISSN 1050-2947, DOI 10.1103/PhysRevA.80.023617
Примечания : 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
Предметные рубрики: OPTICAL LATTICE
ATOMS
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Orlov Yu. S.
Заглавие : Covalence-induced stabilization of an intermediate-spin state and the magnetic susceptibility of LaCoO3
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2007. - Vol. 104, Is. 3. - P436-444. - ISSN 1063-7761, DOI 10.1134/S1063776107030090
Примечания : 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
Предметные рубрики: TRANSITION
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Zobov V. E., Lundin A. A.
Заглавие : Effect of intramolecular interaction on time growth of second moment of multiple quantum NMR in solids
Место публикации : 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. - ISBN 1742-6588, DOI 10.1088/1742-6596/324/1/012010
Примечания : Cited References: 12
Предметные рубрики: COHERENCES
DYNAMICS
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Ovchinnikov S. G., Sherman A. V.
Заглавие : Effective Hamiltonian and the properties of normal and superconductive phases of n-type cuprates
Место публикации : Physica B: ELSEVIER SCIENCE BV, 2005. - Vol. 359: International Conference on Strongly Correlated Electron Systems (SCES 04) (JUL 26-30, 2004, Karlsruhe, GERMANY). - P521-523. - ISSN 0921-4526, DOI 10.1016/j.physb.2005.01.134
Примечания : Cited References: 13
Предметные рубрики: MODEL
SYMMETRY
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Shneider E. I.
Заглавие : Effective Hamiltonian for HTSC cuprates taking into account electron-phonon interaction in the strong-correlation regime
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2005. - Vol. 101, Is. 5. - P844-855. - ISSN 1063-7761, DOI 10.1134/1.2149064
Примечания : 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
Предметные рубрики: HIGH-TEMPERATURE SUPERCONDUCTORS
D-WAVE SUPERCONDUCTIVITY
T-C
DISPERSION
SCATTERING
OXIDES
STATE
MODEL
Ключевые слова (''Своб.индексиров.''): 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Gavrichkov V. A., Ovchinnikov S. G., Manske D., Eremin I.
Заглавие : Effective parameters of the band dispersion in n-type high-T-c superconductors
Разночтения заглавия :авие SCOPUS: Effective parameters of the band dispersion in n-type high-Tc superconductors
Место публикации : Physica C: ELSEVIER SCIENCE BV, 2004. - Vol. 402, Is. 4. - P365-370. - ISSN 0921-4534, DOI 10.1016/j.physc.2003.10.017
Примечания : Cited References: 32
Предметные рубрики: DOPED CUPRATE SUPERCONDUCTORS
TIGHT-BINDING METHOD
QUASI-PARTICLES
COPPER OXIDES
LA2-XSRXCUO4
SYMMETRY
MODEL
EVOLUTION
ORDER
Ключевые слова (''Своб.индексиров.''): 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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