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Register a new userOrthorhombic-to-Monoclinic Phase Transition of Ta2NiSe5 Induced by the Bose-Einstein Condensation of Excitons
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Using the band structure calculation and mean-field analysis of the derived three-chain Hubbard model with phonon degrees of freedom, we discuss the origin of the orthorhombic-to-monoclinic phase transition of the layered chalcogenide Ta$_2$NiSe$_5$. We show that the Bose-Einstein condensation of excitonic electron-hole pairs cooperatively induces the instability of the phonon mode at momentum $qrightarrow 0$ in the quasi-one-dimensional Ta-NiSe-Ta chain, resulting in the structural phase transition of the system. The calculated single-particle spectra reproduce the deformation of the band structure observed in the angle-resolved photoemission spectroscopy experiment.
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We show that finite temperature variational cluster approximation (VCA) calculations on an extended Falicov-Kimball model can reproduce angle-resolved photoemission spectroscopy (ARPES) results on Ta2NiSe5 across a semiconductor-to-semiconductor structural phase transition at 325 K. We demonstrate that the characteristic temperature dependence of the flat-top valence band observed by ARPES is reproduced by the VCA calculation on the realistic model for an excitonic insulator only when the strong excitonic fluctuation is taken into account. The present calculations indicate that Ta2NiSe5 falls in the Bose-Einstein condensation regime of the excitonic insulator state.
An exciton is an electron-hole pair bound by attractive Coulomb interaction. Short-lived excitons have been detected by a variety of experimental probes in numerous contexts. An excitonic insulator, a collective state of such excitons, has been more elusive. Here, thanks to Nernst measurements in pulsed magnetic fields, we show that in graphite there is a critical temperature (T = 9.2 K) and a critical magnetic field (B = 47 T) for Bose-Einstein condensation of excitons. At this critical field, hole and electron Landau sub-bands simultaneously cross the Fermi level and allow exciton formation. By quantifying the effective mass and the spatial separation of the excitons in the basal plane, we show that the degeneracy temperature of the excitonic fluid corresponds to this critical temperature. This identification would explain why the field-induced transition observed in graphite is not a universal feature of three-dimensional electron systems pushed beyond the quantum limit.
The Bose condensation of 2D dipolar excitons in quantum wells is numerically studied by the diffusion Monte Carlo simulation method. The correlation, microscopic, thermodynamic, and spectral characteristics are calculated. It is shown that, in structures of coupled quantum wells, in which low-temperature features of exciton luminescence have presently been observed, dipolar excitons form a strongly correlated system. Their Bose condensation can experimentally be achieved much easily than for ideal or weakly correlated excitons.
Utrafast control of material physical properties represents a rapid developing field in condensed matter physics. Yet, accessing to the long-lived photoinduced electronic states is still in its early stage, especially with respect to an insulator to metal phase transition. Here, by combing transport measurement with ultrashort photoexcitation and coherent phonon spectroscopy, we report on photoinduced multistage phase transitions in Ta2NiSe5. Upon excitation by weak pulse intensity, the system is triggered to a short-lived state accompanied by a structural change. Further increasing the excitation intensity beyond a threshold, a photoinduced steady new state is achieved where the resistivity drops by more than four orders at temperature 50 K. This new state is thermally stable up to at least 350 K and exhibits the lattice structure different from any of the thermally accessible equilibrium states. Transmission electron microscopy reveals an in-chain Ta atom displacement in the photoinduced new structure phase. We also found that nano-sheet samples with the thickness less than the optical penetration depth are required for attaining a complete transition.
Structural and magnetic properties of a quasi-one-dimensional spin-$1/2$ compound NaVOPO$_4$ are explored by x-ray diffraction, magnetic susceptibility, high-field magnetization, specific heat, electron spin resonance, and $^{31}$P nuclear magnetic resonance measurements, as well as complementary textit{ab initio} calculations. Whereas magnetic susceptibility of NaVOPO$_4$ may be compatible with the gapless uniform spin chain model, detailed examination of the crystal structure reveals a weak alternation of the exchange couplings with the alternation ratio $alphasimeq 0.98$ and the ensuing zero-field spin gap $Delta_{0}/k_{rm B} simeq 2.4$~K directly probed by field-dependent magnetization measurements. No long-range order is observed down to 50,mK in zero field. However, applied fields above the critical field $H_{c1}simeq 1.6$,T give rise to a magnetic ordering transition with the phase boundary $T_{rm N} propto {(H - H_{rm c1})^{frac{1}{phi}}}$, where $phi simeq 1.8$ is close to the value expected for Bose-Einstein condensation of triplons. With its weak alternation of the exchange couplings and small spin gap, NaVOPO$_4$ lies close to the quantum critical point.
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