ترغب بنشر مسار تعليمي؟ اضغط هنا

The electronic structure of {em R}NiC$_2$ intermetallic compounds

104   0   0.0 ( 0 )
 نشر من قبل Jude Laverock
 تاريخ النشر 2009
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

First-principles calculations of the electronic structure of members of the $R$NiC$_2$ series are presented, and their Fermi surfaces investigated for nesting propensities which might be linked to the charge-density waves exhibited by certain members of the series ($R$ = Sm, Gd and Nd). Calculations of the generalized susceptibility, $chi_{0}({bf q},omega)$, show strong peaks at the same ${bf q}$-vector in both the real and imaginary parts for these compounds. Moreover, this peak occurs at a wavevector which is very close to that experimentally observed in SmNiC$_2$. In contrast, for LaNiC$_2$ (which is a superconductor below 2.7K) as well as for ferromagnetic SmNiC$_2$, there is no such sharp peak. This could explain the absence of a charge-density wave transition in the former, and the destruction of the charge-density wave that has been observed to accompany the onset of ferromagnetic order in the latter.


قيم البحث

اقرأ أيضاً

The electronic structure of the kagome staircase compounds, Ni3V2O8 and Co3V2O8, has been investigated using soft x-ray absorption, soft x-ray emission, and resonant inelastic x-ray scattering (RIXS). Comparison between the two compounds, and with fi rst principles band structure calculations and crystal-field multiplet models, provide unique insight into the electronic structure of the two materials. Whereas the location of the narrow (Ni,Co) d bands is predicted to be close to EF, we experimentally find they lie deeper in the occupied O 2p and unoccupied V 3d manifolds, and determine their energy via measured charge-transfer excitations. Additionally, we find evidence for a dd excitation at 1.5 eV in Ni3V2O8, suggesting the V d states may be weakly occupied in this compound, contrary to Co3V2O8. Good agreement is found between the crystal-field dd excitations observed in the experiment and predicted by atomic multiplet theory.
Using first-principles calculations, we analyze the evolution of the electronic structure and magnetic properties of infinite-layer nickelates RNiO$_2$ (R= rare-earth) as R changes across the lanthanide series from La to Lu. By correlating these chan ges with in-plane and out-of-plane lattice parameter reductions, we conclude that the in-plane Ni-O distance is the relevant control parameter in infinite-layer nickelates. An antiferromagnetic ground state is obtained for all RNiO$_2$ (R=La-Lu). This antiferromagnetic state remains metallic across the lanthanide series and is defined by a multiorbital picture with low-energy relevance of a flat Ni-d$_{z^2}$ band pinned at the Fermi level, in contrast to cuprates. Other non-cuprate-like properties such as the involvement of R-$d$ bands at the Fermi level, a large charge transfer energy, and a suppressed superexchange are robust for all RNiO$_2$ materials.
We report the magnetic properties strongly varying with the rare-earth elements in the newly found ternary compounds $R$Al$_{0.9}$Si$_{1.1}$, which crystallize in the tetragonal $alpha$-ThSi$_2$-type structure. For $R$ = Ce the alloy has a weak ferro magnetism below 11 K and for $R$ = Pr it orders ferromagnetically at 17 K, while for $R$ = Gd it is antiferromagnetic with $T_{rm N}$ = 30.5 K. In addition, we find no field effect on $T_{rm N}$ of $R$ = Gd because of the large internal mean field, but significant changes in the magnetic properties of $R$ = Ce and Pr.
112 - V. Zlatic , R. Monnier 2005
The thermoelectric properties of intermetallic compounds with Ce or Yb ions are explained by the single-impurity Anderson model which takes into account the crystal-field splitting of the 4{it f} ground-state multiplet, and assumes a strong Coulomb r epulsion which restricts the number of {it f} electrons or {it f} holes to $n_fleq 1$ for Ce and $n_f^{hole}leq 1$ for Yb ions. Using the non-crossing approximation and imposing the charge neutrality constraint on the local scattering problem at each temperature and pressure, the excitation spectrum and the transport coefficients of the model are obtained. The thermopower calculated in such a way exhibits all the characteristic features observed in Ce and Yb intermetallics. Calculating the effect of pressure on various characteristic energy scales of the model, we obtain the $(T,p)$ phase diagram which agrees with the experimental data on CeRu$_{2}$Si$_2$, CeCu$_{2}$Si$_2$, CePd$_{2}$Si$_2$, and similar compounds. The evolution of the thermopower and the electrical resistance as a function of temperature, pressure or doping is explained in terms of the crossovers between various fixed points of the model and the redistribution of the single-particle spectral weight within the Fermi window.
125 - D.D. Sarma 1998
Investigating LaNi(1-x)M(x)O3 (M = Mn and Fe), we identify a characteristic evolution of the spectral function with increasing disorder in presence of strong interaction effects across the metal-insulator transition. We discuss these results vis-a-vi s existing theories of electronic structure in simultaneous presence of disorder and interaction.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا