Publications (54)
Ab initio wavefunction based methods for excited states in solids: correlation corrections to the band structure of ionic oxides
L. Hozoi, U. Birkenheuer, P. Fulde +2
Ab initio wavefunction based methods are applied to the study of electron correlation effects on the band structure of oxide systems. We choose MgO as a prototype closed-shell ioni…
A Spin-Mechanical Device for Detection and Control of Spin Current by Nanomechanical Torque
P. Mohanty, G. Zolfagharkhani, S. Kettemann +1
We propose a spin-mechanical device to control and detect spin currents by mechanical torque. Our hybrid nano-electro-mechanical device, which contains a nanowire with a ferromagne…
Charge ordering and spin- Peierls transition in alpha'-NaV2O5
P. Thalmeier, P. Fulde
Recent X-ray analysis and NMR- experiments have shown that alpha'- NaV2O5 is not a conventional spin-Peierls (SP) compound because above the transition at 33K it is in a homogeneou…
Feedback spin resonance in superconducting CeCuSi and CeCoIn
I. Eremin, G. Zwicknagl, P. Thalmeier +1
We show that the recently observed spin resonance modes in heavy-fermion superconductors CeCoIn and CeCuSi are magnetic excitons originating from superconducting quasip…
On a dual model for 5f electrons
D. V. Efremov, N. Hasselmann, E. Runge +2
We study the effect of intra-atomic correlations on anisotropies of hopping of 5f electrons. It is shown that they may considerably enhance these anisotropies to the extend that el…
Impurity-induced spin polarization and NMR line broadening in underdoped cuprates
R. Kilian, S. Krivenko, G. Khaliullin +1
We present a theory of magnetic (S=1) Ni and nonmagnetic Zn impurities in underdoped cuprates. Both types of impurities are shown to induce S=1/2 moments on Cu sites in the proximi…
Geometrical Properties of Cumulant Expansions
K. Kladko, P. Fulde
Cumulants represent a natural language for expressing macroscopic properties of a solid. We show that cumulants are subject to a nontrivial geometry. This geometry provides an intu…
Calculating excitation energies with the help of cumulants
T. Schork, P. Fulde
Recently, it has been shown that the ground-state energy of a quantum many-body system can be written in terms of cumulants. In this paper we show that the energies of excited stat…
Random Kondo Alloys
S. Burdin, P. Fulde
The interplay between the Kondo effect and disorder is studied. This is done by applying a matrix coherent potential approximation (CPA) and treating the Kondo interaction on a mea…
Magnetic impurities coupled to quantum antiferromagnets in one dimension
J. Igarashi, T. Tonegawa, M. Kaburagi +1
Magnetic impurities coupled antiferromagnetically to a one-dimensional Heisenberg model are studied by numerical diagonalization of chains of finite clusters. By calculating the bi…
On the origin of heavy quasiparticles in LiV_2O_4
P. Fulde, A. N. Yaresko, A. A. Zvyagin +1
An explanation is provided for the heavy quasiparticle excitations in LiV_2O_4. It differs considerably from that of other known heavy-fermion systems. Main ingredients of our theo…
Field dependent mass enhancement in Pr_{1-x}La_xOs_4Sb_12 from aspherical Coulomb scattering
G. Zwicknagl, P. Thalmeier, P. Fulde
The scattering of conduction electrons by crystalline electric field (CEF) excitations may enhance their effective quasiparticle mass similar to scattering from phonons. A wellknow…
Theory of magnetic excitons in the heavy-fermion superconductor
Jun Chang, I. Eremin, P. Thalmeier +1
We analyze the influence of unconventional superconductivity on the magnetic excitations in the heavy fermion compound UPdAl. We show that it leads to the formation of a bo…
Approximative treatment of 5f-systems with partial localization due to intra-atomic correlations
E. Runge, P. Fulde, D. V. Efremov +2
Increasing experimental and theoretical evidence points towards a dual nature of the 5 electrons in actinide-based strongly correlated metallic compounds, with some 5 electro…
Structure determination, valence, and superexchange in the dimerized low temperature phase of alpha'-NaV2O5
A. Bernert, T. Chatterji, P. Thalmeier +1
We report results of a new analysis for the low-temperature structure of alpha'-NaV2O5 from synchrotron x-ray diffraction experiments. We confirm the existence of two inequivalent…
Local spin polarization in underdoped cuprates with impurities
G. Khaliullin, R. Kilian, S. Krivenko +1
We present a theory of magnetic (Ni) and nonmagnetic (Zn) impurities substituted into planar Cu sites in the normal state of underdoped cuprates exhibiting a spin gap. Both types o…
Charge ordering in the spinels AlVO and LiVO
Y. Z. Zhang, P. Fulde, P. Thalmeier +1
We develop a microscopic theory for the charge ordering (CO) transitions in the spinels AlVO and LiVO (under pressure). The high degeneracy of CO states is lifted b…
Strings in strongly correlated electron systems
P. Fulde, F. Pollmann
It is shown that strongly correlated electrons on frustrated lattices like pyrochlore, checkerboard or kagome lattice can lead to the appearance of closed and open strings. They ar…
Effect of nuclear quadrupole interactions on the dynamics of two-level systems in glasses
A. L. Burin, I. Ya. Polishchuk, P. Fulde +1
The standard tunneling model describes quite satisfactorily the thermal properties of amorphous solids at temperatures in terms of an ensemble of two-level systems possessin…
Superconductivity in a magnetically ordered background
A. Amici, P. Thalmeier, P. Fulde
Borocarbide compounds with the formula RNi2B2C show interesting superconducting and magnetic properties and the coexistence of the two phenomena. BCS theory is extended to systems…
Influence of magnetic impurities on the heat capacity of nuclear spins
A. M. Dyugaev, Yu. N. Ovchinnikov, P. Fulde
It is found that in a wide range of temperatures and magnetic fields even a small concentration of magnetic impurities in a sample leads to a temperature dependence of the…
Non local theory of excitations applied to the Hubbard model
Y. Kakehashi, T. Nakamura, P. Fulde
We propose a nonlocal theory of single-particle excitations. It is based on an off-diagonal effective medium and the projection operator method for treating the retarded Green func…
Correlated Fermions on a Checkerboard Lattice
F. Pollmann, J. J. Betouras, K. Shtengel +1
A model of strongly correlated spinless fermions hopping on a checkerboard lattice is mapped onto a quantum fully-packed loop model. We identify a large number of fluctuationless s…
Cumulant expansion for systems with large spins
K. Kladko, P. Fulde, D. A. Garanin
A method is proposed for obtaining a systematic expansion of thermodynamic functions of spin systems with large spin S in powers of 1/S. It uses the cumulant technique and a cohere…
A microscopic model for the structural transition and spin gap formation in alpha'-NaV2O5
A. Bernert, P. Thalmeier, P. Fulde
We present a microscopic model for alpha'-NaV2O5. Using an extended Hubbard model for the vanadium layers we derive an effective low-energy model consisting of pseudospin Ising cha…
Properties of Magnetic Impurity in a Metal
Yu. N. Ovchinnikov, A. M. Dyugaev, V. Z. Kresin +1
The paper has been withdrawn.
Correlated electrons in Fe-As compounds: a quantum chemical perspective
L. Hozoi, P. Fulde
State-of-the-art quantum chemical methods are applied to the study of the multiorbital correlated electronic structure of a Fe-As compound, the recently discovered LiFeAs. Our calc…
Nuclear magnetic susceptibility of metals with magnetic impurities
A. M. Dyugaev, Yu. N. Ovchinnikov, P. Fulde +1
We consider the contribution of magnetic impurities to the nuclear magnetic susceptibility and to the specific heat of a metal. The impurity contribution to the magnetic s…
A quantum liquid with deconfined fractional excitations in three dimensions
O. Sikora, F. Pollmann, N. Shannon +2
Excitations which carry "fractional" quantum numbers are known to exist in one dimension in polyacetylene, and in two dimensions, in the fractional quantum Hall effect. Fractional…
Impurity-induced moments in underdoped cuprates
G. Khaliullin, R. Kilian, S. Krivenko +1
We examine the effect of a nonmagnetic impurity in a two-dimensional spin liquid in the spin-gap phase, employing a drone-fermion representation of spin-1/2 operators. The properti…
Charge degrees in the quarter-filled checkerboard lattice
F. Pollmann, J. J. Betouras, E. Runge +1
For a systematic study of charge degrees of freedom in lattices with geometric frustration, we consider spinless fermions on the checkerboard lattice with nearest-neighbor hopping…
Effective classical Hamiltonians for spin systems: A closed form with quantum spin-wave effects
D. A. Garanin, D. V. Dmitriev, P. Fulde
Thermodynamic properties of any quantum spin system can be described by the formally exact, although in general intractable, effective classical Hamilton function \cal H. Here we o…
Spectral functions and optical conductivity of spinless fermions on a checkerboard lattice
F. Pollmann, P. Fulde, E. Runge
We study the dynamical properties of spinless fermions on the checkerboard lattice. Our main interest is the limit of large nearest-neighbor repulsion as compared with hopping…
On confined fractional charges: a simple model
F. Pollmann, P. Fulde
We address the question whether features known from quantum chromodynamics (QCD) can possibly also show up in solid-state physics. It is shown that spinless fermions of charge …
Strong-coupling theory of magnetic-exciton-mediated superconductivity in UPdAl
P. McHale, P. Thalmeier, P. Fulde
There is compelling evidence from inelastic-neutron-scattering and tunneling experiments that the heavy-fermion superconductor UPdAl can be understood as a dual system cons…
Spin-state transition and spin-polaron physics in cobalt oxide perovskites: ab initio approach based on quantum chemical methods
L. Hozoi, U. Birkenheuer, H. Stoll +1
A fully ab initio scheme based on quantum chemical wavefunction methods is used to investigate the correlated multiorbital electronic structure of a 3d-metal compound, LaCoO3. The…
The dual nature of 5f electrons and origin of heavy fermions in U compounds
G Zwicknagl, P. Fulde
We develop a theory for the electronic excitations in UPt which is based on the localization of two of the electrons. The remaining electron is delocalized and acquire…
Fermiology of Cuprates from First Principles: From Small Pockets to the Luttinger Fermi surface
L. Hozoi, M. S. Laad, P. Fulde
Fermiology, the shape and size of the Fermi surface, underpins the low-temperature physical properties of a metal. Recent investigations of the Fermi surface of high-Tc superconduc…
Magnetic properties of doped GdI2
T. Maitra, A. Taraphder, A. N. Yaresko +1
Motivated by the recent experimental studies on layered ferromagnetic metallic system GdI2 and its doped variant GdI2Hx we develop a model to understand their ground state magnetic…
Fractionally charged excitations on frustrated lattices
E. Runge, F. Pollmann, P. Fulde
Systems of strongly correlated fermions on certain geometrically frustrated lattices at particular filling factors support excitations with fractional charges . We calcula…
Quasiclassical Hamiltonians for large-spin systems
D. A. Garanin, K. Kladko, P. Fulde
We propose a method for obtaining effective classical Hamiltonians \cal H for many-body quantum spin systems with large spins. This method uses the coherent-state representation of…
Dynamic spin susceptibility of paramagnetic spinel LiV2O4
V. Yushankhai, A. Yaresko, P. Fulde +1
In an attempt to explain inelastic neutron scattering data for LiV2O4 the dynamical spin susceptibility Ï(Q,w) at zero temperature is calculated. Starting point is a weak coupling…
Effect of Nuclear Quadrupole Interaction on the Relaxation in Amorphous Solids
I. Y. Polishchuk, P. Fulde, A. L. Burin +2
Recently it has been experimentally demonstrated that certain glasses display an unexpected magnetic field dependence of the dielectric constant. In particular, the echo technique…
Magnetic impurity in correlated electrons system
S. Nishimoto, P. Fulde
We study a magnetic impurity embedded in a correlated electron system using the density-matrix renormalization group method. The correlated electron system is described by the one-…
Cluster approach study of intersite electron correlations in pyrochlore and checkerboard lattices
V. Yushankhai, P. Fulde, P. Thalmeier
To treat effects of electron correlations in geometrically frustrated pyrochlore and checkerboard lattices, an extended single-orbital Hubbard model with nearest neighbor hopping $…
On the ground state of solids with strong electron correlations
P. Fulde, H. Stoll, K. Kladko
We formulate the calculation of the ground-state wavefunction and energy of a system of strongly correlated electrons in terms of scattering matrices. A hierarchy of approximations…
Marginal Fermi Liquid Theory in the Hubbard Model
Y. Kakehashi, P. Fulde
We find Marginal Fermi Liquid (MFL) like behavior in the Hubbard model on a square lattice for a range of hole doping and on-site interaction parameter U. Thereby we use a self-con…
Fermi surface and heavy masses for UPdAl
G. Zwicknagl, A. Yaresko, P. Fulde
We calculate the Fermi surface and the anisotropic heavy masses of UPd2Al3 by keeping two of the 5f electrons as localized. Good agreement with experiments is found. The theory con…
Correlation-induced corrections to the band structure of boron nitride: a wave-function-based approach
A. Stoyanova, L. Hozoi, P. Fulde +1
We present a systematic study of the correlation-induced corrections to the electronic band structure of zinc-blende BN. Our investigation employs an ab initio wave-function-based…
Origin of heavy quasiparticles in UPt_3
G. Zwicknagl, A. N. Yaresko, P. Fulde
We propose a microscopic description of heavy fermions in UPt_3. It is based on the assumption that two of the three 5f electrons of the U ions are localized. Band-structure calcul…
Wave-function-based approach to quasiparticle bands: new insight into the electronic structure of c-ZnS
A. Stoyanova, L. Hozoi, P. Fulde +1
Ab initio wave-function-based methods are employed for the study of quasiparticle energy bands of zinc-blende ZnS, with focus on the Zn 3d "semicore" states. The relative energies…
Low temperature breakdown of coherent tunneling in amorphous solids induced by the nuclear quadrupole interaction
A. L. Burin, I. Ya. Polishchuk, P. Fulde +1
We consider the effect of the internal nuclear quadrupole interaction on quantum tunneling in complex multi-atomic two-level systems. Two distinct regimes of strong and weak intera…
Theoretical model for the superconducting and magnetically ordered borocarbides
A. Amici, P. Thalmeier, P. Fulde
We present a theory of superconductivity in presence of a general magnetic structure in a form suitable for the description of complex magnetic phases encountered in borocarbides.…
Kinetic ferromagnetism on a kagome lattice
F. Pollmann, P. Fulde, K. Shtengel
We study strongly correlated electrons on a kagome lattice at 1/6 and 1/3 filling. They are described by an extended Hubbard Hamiltonian. We are concerned with the limit |t|<<V<<U…