اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدAb initio calculation of low-energy collective charge-density excitations in MgB2
334
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We present {it ab-initio} time-dependent density-functional theory calculation results for low-energy collective electron excitations in $textrm{MgB}_2$. The existence of a long-lived collective excitation corresponding to coherent charge density fluctuations between the boron $sigma$- and $pi$- bands ($sigmapi$ mode) is demonstrated. This mode has a sine-like oscillating dispersion for energies below 0.5 eV. At even lower energy we find another collective mode ($sigmasigma$ mode). We show the strong impact of local-field effects on dielectric functions in MgB$_2$. These effects account for the long q-range behavior of the modes. We discuss the physics that these collective excitations bring to the energy region typical for lattice vibrations.
قيم البحث
اقرأ أيضاً
We describe a method for calculating, within density functional theory, the electronic structure associated with typical defects which substitute for Cu in the CuO2 planes of high-Tc superconducting materials. The focus is primarily on Bi2Sr2CaCu2O8,
the material on which most STM measurements of impurity resonances in the superconducting state have been performed. The magnitudes of the effective potentials found for Zn, Ni and vacancies on the in-plane Cu sites in this host material are remarkably consistent with phenomenological fits of potential scattering models to STM resonance energies. The effective potential ranges are quite short, of order 1 A with weak long range tails, in contrast to some current models of extended potentials which attempt to fit STM data. For the case of Zn and Cu vacancies, the effective potentials are strongly repulsive, and states on the impurity site near the Fermi level are simply removed. The local density of states (LDOS) just above the impurity is nevertheless found to be a maximum in the case of Zn and a local minimum in case of the vacancy, in agreement with experiment. The Zn and Cu vacancy patterns are explained as due to the long-range tails of the effective impurity potential at the sample surface. The case of Ni is richer due to the Ni atoms strong hybridization with states near the Fermi level; in particular, the short range part of the potential is attractive, and the LDOS is found to vary rapidly with distance from the surface and from the impurity site. We propose that the current controversy surrounding the observed STM patterns can be resolved by properly accounting for the effective impurity potentials and wave-functions near the cuprate surface. Other aspects of the impurity states for all three species are discussed.
We use a tunable laser ARPES to study the electronic properties of the prototypical multiband BCS superconductor MgB2. Our data reveal a strong renormalization of the dispersion (kink) at ~65 meV, which is caused by coupling of electrons to the E2g p
honon mode. In contrast to cuprates, the 65 meV kink in MgB2 does not change significantly across Tc. More interestingly, we observe strong coupling to a second, lower energy collective mode at binding energy of 10 meV. This excitation vanishes above Tc and is likely a signature of the elusive Leggett mode.
The s manifold energy levels for phosphorus donors in silicon are important input parameters for the design and modelling of electronic devices on the nanoscale. In this paper we calculate these energy levels from first principles using density funct
ional theory. The wavefunction of the donor electrons ground state is found to have a form that is similar to an atomic s orbital, with an effective Bohr radius of 1.8 nm. The corresponding binding energy of this state is found to be 41 meV, which is in good agreement with the currently accepted value of 45.59 meV. We also calculate the energies of the excited 1s(T) and 1s(E) states, finding them to be 32 and 31 meV respectively. These results constitute the first ab initio confirmation of the s manifold energy levels for phosphorus donors in silicon.
High temperature cuprate superconductors consist of stacked CuO2 planes, with primarily two dimensional electronic band structures and magnetic excitations, while superconducting coherence is three dimensional. This dichotomy highlights the importanc
e of out-of-plane charge dynamics, believed to be incoherent in the normal state, yet lacking a comprehensive characterization in energy-momentum space. Here, we use resonant inelastic x-ray scattering (RIXS) with polarization analysis to uncover the pure charge character of a recently discovered collective mode in electron-doped cuprates. This mode disperses along both the in- and, importantly, out-of-plane directions, revealing its three dimensional nature. The periodicity of the out-of-plane dispersion corresponds to the CuO2 plane distance rather than the crystallographic c-axis lattice constant, suggesting that the interplane Coulomb interaction drives the coherent out-of-plane charge dynamics. The observed properties are hallmarks of the long-sought acoustic plasmon, predicted for layered systems and argued to play a substantial role in mediating high temperature superconductivity.
The discovery of charge-density wave (CDW)-related effects in the resonant inelastic x-ray scattering (RIXS) spectra of cuprates holds the tantalizing promise of clarifying the interactions that stabilize the electronic order. Here, we report a compr
ehensive RIXS study of La2-xSrxCuO4 (LSCO) finding that CDW effects persist up to a remarkably high doping level of x = 0.21 before disappearing at x = 0.25. The inelastic excitation spectra remain essentially unchanged with doping despite crossing a topological transition in the Fermi surface. This indicates that the spectra contain little or no direct coupling to electronic excitations near the Fermi surface, rather they are dominated by the resonant cross-section for phonons and CDW-induced phonon-softening. We interpret our results in terms of a CDW that is generated by strong correlations and a phonon response that is driven by the CDW-induced modification of the lattice.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
