ترغب بنشر مسار تعليمي؟ اضغط هنا

Unoccupied electronic states of Au(113): theory and experiment

107   0   0.0 ( 0 )
 نشر من قبل Patricio Vargas
 تاريخ النشر 2000
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

We present results from Inverse photoemission spectroscopy in the isochromat mode, with angular resolution, from the clean Au(113) surface. To identify the origin of the different resonances we have performed first principles calculations of the bulk band structure in the LMTO formalism. Using the particular characteristic of the spectrometer we have made a theoretical prediction of the bulk features dispersion as a function of parallel momentum, considering only energy and momentum conservation. Thus we have been able to unambiguously identify, from measured spectra various bulk derived resonances in addition to two surface resonances and a surface state in the [-110] and [33-2] directions respectively.



قيم البحث

اقرأ أيضاً

128 - A. Sperl , J. Kroeger , N. Neel 2007
Size-selected silver clusters on Ag(111) were fabricated with the tip of a scanning tunneling microscope. Unoccupied electron resonances give rise to image contrast and spectral features which shift toward the Fermi level with increasing cluster size . Linear assemblies exhibit higher resonance energies than equally sized compact assemblies. Density functional theory calculations reproduce the observed energies and enable an assignment of the resonances to hybridized atomic 5s and 5p orbitals with silver substrate states.
94 - Abhishek Raghav 2020
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aided by Hubbard correction (DFT+U). The intrinsic point defects consider ed here are, oxygen vacancy ($V_O$), oxygen interstitial ($O_i$), titanium vacancy ($V_{Ti}$) and titanium interstitial ($Ti_i$). Out of all the intrinsic defects considered here, $V_{Ti}$ and $Ti_i$ are found to be most stable under equilibrium condition. Whereas, conduction band in anatase is consisted of mainly Ti 3d with a minor component of O 2p states, valence band is found to be mainly composed of O 2p with a minor contribution from Ti 3d states. $V_O$ and $Ti_i$ are found to form localized states in the band gap. Moreover, anisotropy in the effective mass is seen. Finally, an alignment of band diagrams for all the intrinsic defect states is performed using vacuum potential from slab-supercell calculation as reference. This first principle study would help in the understanding of defect-induced insulating to conducting transition in anatase, which would have significant impact in the photocatalytic and optoelectronic area.
Angle-resolved photoemission spectroscopy (ARPES) is typically used to study only the occupied electronic band structure of a material. Here we use laser-based ARPES to observe a feature in bismuth-based superconductors that, in contrast, is related to the unoccupied states. Specifically, we observe a dispersive suppression of intensity cutting across the valence band, which, when compared with relativistic one-step calculations, can be traced to two final-state gaps in the bands 6 eV above the Fermi level. This finding opens up possibilities to bring the ultra-high momentum resolution of existing laser-ARPES instruments to the unoccupied electron states. For cases where the final-state gap is not the object of study, we find that its effects can be made to vanish under certain experimental conditions.
A detailed review of the literature for the last 5-10 years on epitaxial growth of graphene is presented. Both experimental and theoretical aspects related to growth on transition metals and on silicon carbide are thoroughly reviewed. Thermodynamic a nd kinetic aspects of growth on all these materials, where possible, are discussed. To make this text useful for a wider audience, a range of important experimental techniques that have been used over the last decade to grow (e.g. CVD, TPG and segregation) and characterize (STM, LEEM, etc.) graphene are reviewed, and a critical survey of the most important theoretical techniques is given. Finally, we critically discuss various unsolved problems related to growth and its mechanism which we believe require proper attention in future research.
The nontrivial topology of spin systems such as skyrmions in real space can promote complex electronic states. Here, we provide a general viewpoint at the emergence of topological electronic states in spin systems based on the methods of noncommutati ve K-theory. By realizing that the structure of the observable algebra of spin textures is determined by the algebraic properties of the noncommutative hypertorus, we arrive at a unified understanding of topological electronic states which we predict to arise in various noncollinear setups. The power of our approach lies in an ability to categorize emergent topological states algebraically without referring to smooth real- or reciprocal-space quantities. This opens a way towards an educated design of topological phases in aperiodic, disordered, or non-smooth textures of spins and charges containing topological defects.
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