اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدNovel Strongly Correlated Europium Superhydrides
349
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We conducted a joint experimental-theoretical investigation of the high-pressure chemistry of europium polyhydrides at pressures of 86-130 GPa. We discovered several novel magnetic Eu superhydrides stabilized by anharmonic effects: cubic $EuH_{9}$, hexagonal $EuH_{9}$, and an unexpected cubic (Pm-3n) clathrate phase, $Eu_{8}H_{46}$. Monte Carlo simulations indicate that cubic $EuH_{9}$ has antiferromagnetic ordering with T(Neel) up to 24 K, whereas hexagonal $EuH_{9}$ and Pm-3n-$Eu_{8}H_{46}$ possess ferromagnetic ordering with T(Curie) = 137 and 336 K, respectively. The electron-phonon interaction is weak in all studied europium hydrides, and their magnetic ordering excludes s-wave superconductivity, except, perhaps, for distorted pseudohexagonal $EuH_{9}$. The equations of state predicted within the DFT+U approach (the Hubbard corrections were found within linear response theory) are in close agreement with the experimental data. This work shows the great influence of the atomic radius on symmetry-breaking distortions of the crystal structures of superhydrides and on their thermodynamic stability.
قيم البحث
اقرأ أيضاً
We present an experimental study of the electronic structure of MnSi. Using X-ray Absorption Spectroscopy, X-ray photoemission and X-ray fluorescence we provide experimental evidence that MnSi has a mixed valence ground state. We show that self consi
stent LDA supercell calculations cannot replicate the XAS spectra of MnSi, while a good match is achieved within the atomic multiplet theory assuming a mixed valence ground state. We discuss the role of the electron-electron interactions in this compound and estimate that the valence fluctuations are suppressed by a factor of 2.5, which means that the Coulomb repulsion is not negligible.
Potassium-doped terphenyl has recently attracted attention as a potential host for high-transition-temperature superconductivity. Here, we elucidate the many-body electronic structure of recently synthesized potassium-doped terphenyl crystals. We sho
w that this system may be understood as a set of weakly coupled one-dimensional ladders. Depending on the strength of the inter-ladder coupling the system may exhibit spin-gapped valence-bond solid or antiferromagnetic phases, both of which upon hole doping may give rise to superconductivity. This terphenyl-based ladder material serves as a new platform for investigating the fate of ladder phases in presence of three-dimensional coupling as well as for novel superconductivity.
We propose a cellular version of dynamical-mean field theory which gives a natural generalization of its original single-site construction and is formulated in different sets of variables. We show how non-orthogonality of the tight-binding basis sets
enters the problem and prove that the resulting equations lead to manifestly causal self energies.
We calculate ground-state energies and density distributions of Hubbard superlattices characterized by periodic modulations of the on-site interaction and the on-site potential. Both density-matrix renormalization group and density-functional methods
are employed and compared. We find that small variations in the on-site potential $v_i$ can simulate, cancel, or even overcompensate effects due to much larger variations in the on-site interaction $U_i$. Our findings highlight the importance of nanoscale spatial inhomogeneity in strongly correlated systems, and call for reexamination of model calculations assuming spatial homogeneity.
We introduce a new linear response method to study the lattice dynamics of materials with strong correlations. It is based on a combination of dynamical mean field theory of strongly correlated electrons and the local density functional theory of ele
ctronic structure of solids. We apply the method to study the phonon dispersions of a prototype Mott insulator NiO. Our results show overall much better agreement with experiment than the corresponding local density predictions.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
