اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدComparison between experiment and calculated band structures for DyN and SmN
104
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We investigate the electronic band structure of two of the rare-earth nitrides, DyN and SmN. Resistivity measurements imply that both materials have a semiconducting ground state, and both show resistivity anomalies coinciding with the magnetic transition, despite the different magnetic states in DyN and SmN. X-ray absorption and emission measurements are in excellent agreement with LSDA+U calculations, although for SmN the calculations predict a zero band gap.
قيم البحث
اقرأ أيضاً
The electronic structure, magnetic moment, and volume collapse of MnO under pressure are obtained from four different correlated band theory methods; local density approximation + Hubbard U (LDA+U), pseudopotential self-interaction correction (pseudo
-SIC), the hybrid functional (combined local exchange plus Hartree-Fock exchange), and the local spin density SIC (SIC-LSD) method. Each method treats correlation among the five Mn 3d orbitals (per spin), including their hybridization with three O $2p$ orbitals in the valence bands and their changes with pressure. The focus is on comparison of the methods for rocksalt MnO (neglecting the observed transition to the NiAs structure in the 90-100 GPa range). Each method predicts a first-order volume collapse, but with variation in the predicted volume and critical pressure. Accompanying the volume collapse is a moment collapse, which for all methods is from high-spin to low-spin (5/2 to 1/2), not to nonmagnetic as the simplest scenario would have. The specific manner in which the transition occurs varies considerably among the methods: pseudo-SIC and SIC-LSD give insulator-to-metal, while LDA+U gives insulator-to-insulator and the hybrid method gives an insulator-to-semimetal transition. Projected densities of states above and below the transition are presented for each of the methods and used to analyze the character of each transition. In some cases the rhombohedral symmetry of the antiferromagnetically ordered phase clearly influences the character of the transition.
For densities above $n=1.6 times 10^{11}$ cm$^{-2}$ in the strongly interacting system of electrons in two-dimensional silicon inversion layers, excellent agreement between experiment and the theory of Zala, Narozhny and Aleiner is obtained for the r
esponse of the conductivity to a magnetic field applied parallel to the plane of the electrons. However, the Fermi liquid parameter $F_0^sigma(n)$ and the valley splitting $Delta_V(n)$ obtained from fits to the magnetoconductivity, although providing qualitatively correct behavior (including sign), do not yield quantitative agreement with the temperature dependence of the conductivity in zero magnetic field. Our results suggest the existence of additional scattering processes not included in the theory in its present form.
Coarsening of bicontinuous microstructures is observed in a variety of systems, such as nanoporous metals and mixtures that have undergone spinodal decomposition. To better understand the morphological evolution of these structures during coarsening,
we compare the morphologies resulting from two different coarsening mechanisms, surface and bulk diffusion. We perform phase-field simulations of coarsening via each mechanism in a two-phase mixture at nominal volume fractions of 50%-50% and 36%-64%, and the simulated structures are characterized in terms of topology (genus density), the interfacial shape distribution, structure factor, and autocorrelations of phase and mean curvature. We observe self-similar evolution of morphology and topology and agreement with the expected power laws for dynamic scaling, in which the characteristic length scale increases over time proportionally to $t^{1/4}$ for surface diffusion and $t^{1/3}$ for bulk diffusion. While we observe the expected difference in the coarsening kinetics, we find that differences in self-similar morphology due to coarsening mechanism are relatively small, although typically they are larger at 36% volume fraction than at 50% volume fraction. In particular, we find that bicontinuous structures coarsened via surface diffusion have lower scaled genus densities than structures coarsened via bulk diffusion. We also compare the self-similar morphologies to those in literature and to two model bicontinuous structures, namely, constant-mean-curvature surfaces based on the Schoen G minimal surface and random leveled-wave structures. The average scaled mean curvatures of these model structures agree reasonably with those of the coarsened structures at both 36% and 50%, but we find substantial disagreements in the scaled genus densities and the standard deviations of mean curvature.
The rare-earth nitride ferromagnetic semiconductors owe their varying magnetic properties to the progressive filling of 4f shell across the series. Recent electrical transport measurements on samarium nitride, including the observation of superconduc
tivity, have been understood in terms of a contribution from a 4f transport channel. Band structure calculations generally locate an empty majority 4f-band within the conduction band although over a wide range of possible energies. Here we report optical reflection and transmission measurements on samarium nitride between 0.01 eV to 4 eV, that demonstrate clearly that the 4f band forms the bottom of the conduction band. Results at the lowest energies show no free carrier absorption, indicating a semiconducting ground state, and supporting earlier conclusions based on transport measurements.
The crystal structures and the physical (magnetic, electrical transport and thermodynamic) properties of the ternary compounds CeRhSi2 and Ce2Rh3Si5 (orthorhombic CeNiSi2- and U2Co3Si5-type structures, respectively) were studied in wide ranges of tem
perature and magnetic field strength. The results revealed that both materials are valence fluctuating systems, in line with previous literature reports. Direct evidence for valence fluctuations was obtained by means of Ce LIII-edge x-ray absorption spectroscopy and Ce 3d core-level x-ray photoelectron spectroscopy. The experimental data were confronted with the results of ab initio calculations of the electronic band structures in both compounds.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
