Topic
Band offset
About: Band offset is a research topic. Over the lifetime, 2446 publications have been published within this topic receiving 53450 citations.
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14 citations
TL;DR: In this article, the valance band offset ΔEv for the CdS/Cu2ZnSnS4 heterojunction was obtained on the basis of the first-principles pseudopotential method.
Abstract: The valance band offset ΔEv for the CdS/Cu2ZnSnS4 heterojunction is obtained on the basis of the first-principles pseudopotential method. Cu2ZnSnS4 is considered to crystallize in the kesterite structure. The total density of states and the local density of states for each atoms are calculated for the CdS(001)/Cu2ZnSnS4(001) supercell. There are two inequivalent interfaces between CdS and Cu2ZnSnS4 in the supercell, and different values of ΔEv are obtained for them, i.e., ΔEv1 = 1.1 eV and ΔEv2 = 1.6 eV. The corresponding conduction band offsets ΔEc are ΔEc1 = 0.2 eV and ΔEc2 = 0.7 eV with the conduction band minimum of Cu2ZnSnS4 higher than that of CdS.
14 citations
TL;DR: In this paper, X-ray photoelectron spectroscopy was used to determine the valence band offset (ΔEV) of the InGaZnO4 (IGZO)/Si heterojunction.
Abstract: X-ray photoelectron spectroscopy was utilized to determine the valence band offset (ΔEV) of the InGaZnO4 (IGZO)/Si heterojunction. The IGZO films were grown on Si (100) using radio frequency magnetron sputtering. A value of ΔEV = 2.53 eV was obtained by using In 3d5/2, Ga 2p3/2 core energy levels as references. Taking into consideration the experimental band gap of 3.20 eV of the IGZO, this would result in a conduction band offset ΔEC = 0.45 eV in this heterostructure.
14 citations
TL;DR: It is found that while the ET rate from TMDCs (MoS2 and WSe2) to fullerenes is relative insensitive to the band offset, the ET rates can be reduced by an order of magnitude when the bandoffset is large.
Abstract: Excited-state electron transfer (ET) across molecules/transition metal dichalcogenide crystal (TMDC) interfaces is a critical process for the functioning of various organic/TMDC hybrid optoelectronic devices. Therefore, it is important to understand the fundamental factors that can facilitate or limit the ET rate. Here it is found that an undesirable combination of the interfacial band offset and the spatial dimensionality of the delocalized electron wave function can significantly slow down the ET process. Specifically, it is found that whereas the ET rate from TMDCs (MoS2 and WSe2) to fullerenes is relative insensitive to the band offset, the ET rate from TMDCs to perylene molecules can be reduced by an order of magnitude when the band offset is large. For the perylene crystal, the sensitivity of the ET rate on the band offset is explained by the 1D nature of the electronic wave function, which limits the availability of states with the appropriate energy to accept the electron.
14 citations
TL;DR: In this article, it was shown that the AlN layer induces a dipole value of 0.18$ eV between HfO2 and substrate, which is consistent with the results of X-ray photoelectron spectroscopic measurements.
Abstract: AlN has successfully been applied to passivate the oxide/III–V interface; however, it changes both the metal work function (WF) and band alignment of the gate-stack and, thus, affects the power consumption of the devices. We found that the AlN layer induces a dipole $\delta = 0.18$ eV between HfO2 and substrate. The dipole value obtained from capacitance–voltage characteristics performs good agreement with the results of X-ray photoelectron spectroscopic measurements. The effective WF of Ni is found to be 5.55 eV, which is larger than its WF in vacuum. The valance band offset and the conduction band offset of HfO2 with AlN/In0.53Ga0.47As are found to be 2.82 and 2.06 eV, respectively.
14 citations