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Register a new userSelf-consistent renormalization theory of spin fluctuations in paramagnetic spinel LiV2O4
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A phenomenological description for the dynamical spin susceptibility $chi({bf q},omega;T)$ observed in inelastic neutron scattering measurements on powder samples of LiV$_2$O$_4$ is developed in terms of the parametrized self-consistent renormalization (SCR) theory of spin fluctuations. Compatible with previous studies at $Tto 0$, a peculiar distribution in ${bf q}$-space of strongly enhanced and slow spin fluctuations at $q sim Q_c simeq$ 0.6 $AA^{-1}$ in LiV$_2$O$_4$ is involved to derive the mode-mode coupling term entering the basic equation of the SCR theory. The equation is solved self-consistently with the parameter values found from a fit of theoretical results to experimental data. For low temperatures, $T lesssim 30$K, where the SCR theory is more reliable, the observed temperature variations of the static spin susceptibility $chi(Q_c;T)$ and the relaxation rate $Gamma_Q(T)$ at $qsim Q_c$ are well reproduced by those suggested by the theory. For $Tgtrsim 30$K, the present SCR is capable in predicting only main trends in $T$-dependences of $chi(Q_c;T)$ and $Gamma_Q(T)$. The discussion is focused on a marked evolution (from $q sim Q_c$ at $Tto 0$ towards low $q$ values at higher temperatures) of the dominant low-$omega$ integrated neutron scattering intensity $I(q; T)$.
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Low frequency spin fluctuation dynamics in paramagnetic spinel LiV$_2$O$_4$, a rare 3$d$-electron heavy fermion system, is investigated. A parametrized self-consistent renormalization (SCR) theory of the dominant AFM spin fluctuations is developed and applied to describe temperature and pressure dependences of the low-$T$ nuclear spin-lattice relaxation rate $1/T_1$ in this material. The experimental data for $1/T_1$ available down to $sim 1$K are well reproduced by the SCR theory, showing the development of AFM spin fluctuations as the paramagnetic metal approaches a magnetic instability under the applied pressure. The low-$T$ upturn of $1/T_1T$ detected below 0.6 K under the highest applied pressure of 4.74 GPa is explained as the nuclear spin relaxation effect due to the spin freezing of magnetic defects unavoidably present in the measured sample of LiV$_2$O$_4$.
We performed nuclear magnetic resonance (NMR) and muon spin relaxation ({mu}SR) experiments to identify the magnetic ground state of the frustrated quantum A-site spinel, CuAl2O4. Our results verify that the ground state does not exhibit a long-range magnetic ordering, but a glass-like transition manifests at T*=2.3 K. However, the Gaussian shape and the weak longitudinal field dependence of {mu}SR spectra below T* show that the ground state has dynamic spin fluctuations, distinct from those of conventional spin-glasses.
Using functional renormalization group methods, we present a self-consistent calculation of the true Fermi momenta k_F^a (antibonding band) and k_F^b (bonding band) of two spinless interacting metallic chains coupled by small interchain hopping. In the regime where the system is a Luttinger liquid, we find that Delta = k_F^b - k_F^a is self-consistently determined by Delta = Delta_{1} [ 1 + {g}_0^2 ln (Lambda_0 / Delta)^2]^{-1} where g_0 is the dimensionless interchain backscattering interaction, Delta_{1} is the Hartree-Fock result for k_F^{b}-k_F^a, and Lambda_0 is an ultraviolet cutoff. If {g}_0^2 ln (Lambda_0 / Delta_{1})^2 is much larger than unity than even weak interachain backscattering leads to a strong reduction of the distance between the Fermi momenta.
We propose a general variational fermionic many-body wavefunction that generates an effective Hamiltonian in a quadratic form, which can then be exactly solved. The theory can be constructed within the density functional theory framework, and a self-consistent scheme is proposed for solving the exact density functional theory. We apply the theory to structurally-disordered systems, symmetric and asymmetric Hubbard dimers, and the corresponding lattice models. The single fermion excitation spectra show a persistent gap due to the fermionic-entanglement-induced pairing condensate. For disordered systems, the density of states at the edge of the gap diverges in the thermodynamic limit, suggesting a topologically ordered phase. A sharp resonance is predicted as the gap is not dependent on the temperature of the system. For the symmetric Hubbard model, the gap for both half-filling and doped case suggests that the quantum phase transition between the antiferromagnetic and superconducting phases is continuous.
We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density functional theory (DFT) exchange-correlation potential for the less correlated, less localized orbitals. We implement this self-energy (plus charge density) self-consistent DFT+DMFT scheme in a basis of maximally localized Wannier orbitals using Wien2K, wien2wannier, and the DMFT impurity solver w2dynamics. As a testbed material we apply the method to SrVO$_3$ and report a significant improvement as compared to previous $d$+$p$ calculations. In particular the position of the oxygen $p$ bands is reproduced correctly, which has been a persistent hassle with unwelcome consequences for the $d$-$p$ hybridization and correlation strength. Taking the (linearized) DMFT self-energy also in the Kohn-Sham equation renders the so-called double-counting problem obsolete.
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