اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدComputational investigation of the electronic and optical properties of planar Ga-doped Graphene
141
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We simulate the optical and electrical responses in gallium-doped graphene. Using density functional theory with a local density approximation, we simlutate the electronic band structure and show the effects of impurity doping (0-3.91%) in graphene on the electron density, refractive index, optical conductivity, and extinction coefficient for each doping percentages. Here, gallium atoms are placed randomly (using a 5-point average) throughout a 128-atom sheet of graphene. These calculations demonstrate the effects of hole doping due to direct atomic substitution, where it is found that a disruption in the electronic structure and electron density for small doping levels is due to impurity scattering of the electrons. However, the system continues to produce metallic or semi-metallic behavior with increasing doping levels. These calculations are compared to a purely theoretical 100% Ga sheet for comparison of conductivity. Furthermore, we examine the change in the electronic band structure, where the introduction of gallium electronic bands produces a shift in the electron bands and dissolves the characteristic Dirac cone within graphene, which leads to better electron mobility.
قيم البحث
اقرأ أيضاً
Due to their characteristic geometry, TiO$_2$ nanotubes (TNTs), suitably doped by metal-substitution to enhance their photocatalytic properties, have a high potential for applications such as clean fuel production. In this context, we present a detai
led investigation of the magnetic, electronic, and optical properties of transition-metal doped TNTs, based on hybrid density functional theory. In particular, we focus on the $3d$, the $4d$, as well as selected $5d$ transition-metal doped TNTs. Thereby, we are able to explain the enhanced optical activity and photocatalytic sensitivity observed in various experiments. We find, for example, that Cr- and W-doped TNTs can be employed for applications like water splitting and carbon dioxide reduction, and for spintronic devices. The best candidate for water splitting is Fe-doped TNT, in agreement with experimental observations. In addition, our findings provide valuable hints for future experimental studies of the ferromagnetic/spintronic behavior of metal-doped titania nanotubes.
We review progress in developing epitaxial graphene as a material for carbon electronics. In particular, improvements in epitaxial graphene growth, interface control and the understanding of multilayer epitaxial graphenes electronic properties are di
scussed. Although graphene grown on both polar faces of SiC is addressed, our discussions will focus on graphene grown on the (000-1) C-face of SiC. The unique properties of C-face multilayer epitaxial graphene have become apparent. These films behave electronically like a stack of nearly independent graphene sheets rather than a thin Bernal-stacked graphite sample. The origin of multilayer graphenes electronic behavior is its unique highly-ordered stacking of non-Bernal rotated graphene planes. While these rotations do not significantly affect the inter-layer interactions, they do break the stacking symmetry of graphite. It is this broken symmetry that causes each sheet to behave like an isolated graphene plane.
We report the structural, transport, electronic, and magnetic properties of Co$_2$FeGa Heusler alloy nanoparticles. The Rietveld refinements of x-ray diffraction (XRD) data with the space group Fm$bar {3}$m clearly demonstrates that the nanoparticles
are of single phase. The particle size (D) decreases with increasing the SiO$_2$ concentration. The Bragg peak positions and the inter-planer spacing extracted from high-resolution transmission electron microscopy image and selected area electron diffraction are in well agreement with data obtained from XRD. The coercivity initially increases from 127~Oe to 208~Oe between D = 8.5~nm and 12.5~nm, following the D$^{-3/2}$ dependence and then decreases with further increasing D up to 21.5~nm with a D$^{-1}$ dependence, indicating the transition from single domain to multidomain regime. The effective magnetic anisotropic constant behaves similarly as coercivity, which confirms this transition. A complex scattering mechanisms have been fitted to explain the electronic transport properties of these nanoparticles. In addition we have studied core-level and valence band spectra using photoemission spectroscopy, which confirm the hybridization between $d$ states of Co/Fe. Further nanoparticle samples synthesized by co-precipitation method show higher saturation magnetization. The presence of Raman active modes can be associated with the high chemical ordering, which motivates for detailed temperature dependent structural investigation using synchrotron radiation and neutron sources.
We show that hole states in recently discovered single-layer InSe are strongly renormalized by the coupling with acoustic phonons. The coupling is enhanced significantly at moderate hole doping ($sim$10$^{13}$ cm$^{-2}$) due to hexagonal warping of t
he Fermi surface. While the system remains dynamically stable, its electron-phonon spectral function exhibits sharp low-energy resonances, leading to the formation of satellite quasiparticle states near the Fermi energy. Such many-body renormalization is predicted to have two important consequences. First, it significantly suppresses charge carrier mobility reaching $sim$1 cm$^2$V$^{-1}$s$^{-1}$ at $100$ K in a freestanding sample. Second, it gives rise to unusual temperature-dependent optical excitations in the midinfrared region. Relatively small charge carrier concentrations and realistic temperatures suggest that these excitations may be observed experimentally.
We report that the {pi}-electrons of graphene can be spin-polarized to create a phase with a significant spin-orbit gap at the Dirac point (DP) using a graphene-interfaced topological insulator hybrid material. We have grown epitaxial Bi2Te2Se (BTS)
films on a chemical vapor deposition (CVD) graphene. We observe two linear surface bands both from the CVD graphene notably flattened and BTS coexisting with their DPs separated by 0.53 eV in the photoemission data measured with synchrotron photons. We further demonstrate that the separation between the two DPs, {Delta}D-D, can be artificially fine-tuned by adjusting the amount of Cs atoms adsorbed on the graphene to a value as small as {Delta}D-D = 0.12 eV to find any proximity effect induced by the DPs. Our density functional theory calculation shows a spin-orbit gap of ~20 meV in the {pi}-band enhanced by three orders of magnitude from that of a pristine graphene, and a concomitant phase transition from a semi-metallic to a quantum spin Hall phase when {Delta}D-D $leq$ 0.20 eV. We thus present a practical means of spin-polarizing the {pi}-band of graphene, which can be pivotal to advance the graphene-based spintronics.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
