相关论文: Relevance of nonadiabatic effects in TiOCl

We propose a microscopic mechanism for the incommensurate phase in TiOX compounds. The model includes the antiferromagnetic chains of Ti ions immersed in the phonon bath of the bilayer structure. Making use of the Cross-Fisher theory, we…

The sequence of phase transitions and the symmetry of in particular the low temperature incommensurate and spin-Peierls phases of the quasi one-dimensional inorganic spin-Peierls system TiOX (TiOBr and TiOCl) have been studied using…

On the basis of ab initio density functional theory (DFT) calculations, we derive the underlying microscopic model Hamiltonian for TiOCl, a unique system that shows two consecutive phase transitions from a Mott insulator to a spin-Peierls…

We have studied the S=1/2 quasi-one-dimensional antiferromagnet TiOCl using single crystal x-ray diffraction and inelastic x-ray scattering techniques. The Ti ions form staggered spin chains which dimerize below Tc1 = 66 K and have an…

We develop a theory of the spin-Peierls transition taking into account the three dimensional character of the phonon field. Our approach does not rely on the adiabatic or mean field treatment for the phonons. It is instead based in the…

We report on a detailed single crystal x-ray diffraction study of the unconventional spin-Peierls compound TiOCl. The intermediate phase of TiOCl is characterized by an incommensurate modulation which is virtually identical to that recently…

A high order series expansion is employed to study the thermodynamical properties of a S=1/2 chain coupled to dispersionless phonons. The results are obtained without truncating the phonon subspace since the series expansion is performed…

We consider an XXZ spin-1/2 chain coupled to optical phonons with non-zero frequency $\omega_0$. In the adiabatic limit (small $\omega_0$), the chain is expected to spontaneously dimerize and open a spin gap, while the phonons become…

Temperature-dependent x-ray diffraction of the low-dimensional spin 1/2 quantum magnet TiOBr shows that the phase transition at T_{c2} = 47.1 (4) K corresponds to the development of an incommensurate superstructure. Below T_{c1} = 26.8 \pm…

The spin-Peierls instability in spin 1/2 XY chain coupled to dispersionless phonons of frequency $\omega$ has been studied in the nonadiabatic limit. We have chosen the Lang-Firsov variational wave function for the phonon subsystem to…

In the present work we aim to characterize the lattice configurations and the magnetic behavior in the incommensurate phase of spin-Peierls systems. This phase emerges when the magnetic exchange interaction is coupled to the distortions of…

The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By…

We present the phonon spectrum of TiOCl computed using hybrid density functional theory (DFT). A complete analysis of the spectrum is performed for the space group Pmmn (high symmetry phase) and the space group P2_1/m (low symmetry phase),…

We study nonadiabatic electron transfer within the biased spin-boson model. We calculate the incoherent transfer rate in analytic form at all temperatures for a power law form of the spectral density of the solvent coupling. In the Ohmic…

We report on the magnetic, thermodynamic and optical properties of the quasi-one-dimensional quantum antiferromagnets TiOCl and TiOBr, which have been discussed as spin-Peierls compounds. The observed deviations from canonical spin-Peierls…

X-ray scattering measurements on single crystals of TiOCl reveal the presence of commensurate dimerization peaks within both the incommensurate spin-Peierls phase and the so-called pseudogap phase above T_c2. This scattering is relatively…

We have performed detailed x-ray scattering measurements on single crystals of the spin-Peierls compound TiOBr in order to study the critical properties of the transition between the incommensurate spin-Peierls state and the paramagnetic…

Pauli paramagnetic susceptibility $\chi$ is unaffected by the electron-phonon interaction in the Migdal-Eliashberg context. Fullerene compounds however do not fulfill the adiabatic assumption of Migdal's theorem and nonadiabatic effects are…

The unusual Raman spectrum of MgB$_2$ and its formidable temperature dependence are successfully reproduced by means of a parameter-free \emph{ab initio} nonadiabatic theory that accounts for the electron-hole pair scattering mechanisms…

The thermodynamic and spectral properties of electrons coupled to quantum phonons are studied within the spinless Holstein model. Using quantum Monte Carlo simulations, we obtain accurate results for the specific heat and the…