Valence band edge tail states and band gap defect levels of GaN bulk and InxGa1−xN films detected by hard X-ray photoemission and photothermal deflection spectroscopy

2018 ◽  
Vol 11 (2) ◽  
pp. 021002 ◽  
Author(s):  
Masatomo Sumiya ◽  
Shigenori Ueda ◽  
Kiyotaka Fukuda ◽  
Yuya Asai ◽  
Yujin Cho ◽  
...  
MRS Advances ◽  
2019 ◽  
Vol 4 (40) ◽  
pp. 2217-2222
Author(s):  
Renu Choudhary ◽  
Rana Biswas ◽  
Bicai Pan ◽  
Durga Paudyal

AbstractMany novel materials are being actively considered for quantum information science and for realizing high-performance qubit operation at room temperature. It is known that deep defects in wide-band gap semiconductors can have spin states and long coherence times suitable for qubit operation. We theoretically investigate from ab-initio density functional theory (DFT) that the defect states in the hexagonal silicon carbide (4H-SiC) are potential qubit materials. The DFT supercell calculations were performed with the local-orbital and pseudopotential methods including hybrid exchange-correlation functionals. Di-vacancies in SiC supercells yielded defect levels in the gap consisting of closely spaced doublet just above the valence band edge, and higher levels in the band gap. The divacancy with a spin state of 1 is charge neutral. The divacancy is characterized by C-dangling bonds and a Si-dangling bonds. Jahn-teller distortions and formation energies as a function of the Fermi level and single photon interactions with these defect levels will be discussed. In contrast, the anti-site defects where C, Si are interchanged have high formation energies of 5.4 eV and have just a single shallow defect level close to the valence band edge, with no spin. We will compare results including the defect levels from both the electronic structure approaches.


2016 ◽  
Vol 119 (16) ◽  
pp. 165703 ◽  
Author(s):  
Johannes Lischner ◽  
Slavomír Nemšák ◽  
Giuseppina Conti ◽  
Andrei Gloskovskii ◽  
Gunnar Karl Pálsson ◽  
...  

2017 ◽  
Vol 7 (1) ◽  
Author(s):  
Daniel J. Trainer ◽  
Aleksei V. Putilov ◽  
Cinzia Di Giorgio ◽  
Timo Saari ◽  
Baokai Wang ◽  
...  

Abstract Recent progress in the synthesis of monolayer MoS2, a two-dimensional direct band-gap semiconductor, is paving new pathways toward atomically thin electronics. Despite the large amount of literature, fundamental gaps remain in understanding electronic properties at the nanoscale. Here, we report a study of highly crystalline islands of MoS2 grown via a refined chemical vapor deposition synthesis technique. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS), photoemission electron microscopy/spectroscopy (PEEM) and μ-ARPES we investigate the electronic properties of MoS2 as a function of the number of layers at the nanoscale and show in-depth how the band gap is affected by a shift of the valence band edge as a function of the layer number. Green’s function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap reduction with increasing thickness, and the role of the interfacial Sulphur atoms is clarified. Our study, which gives new insight into the variation of electronic properties of MoS2 films with thickness bears directly on junction properties of MoS2, and thus impacts electronics application of MoS2.


2021 ◽  
Vol 2 (3) ◽  
pp. 274-283
Author(s):  
Masaya Ichimura

The band alignment of Mg(OH)2-based heterostructures is investigated based on first-principles calculation. (111)-MgO/(0001)-Mg(OH)2 and (0001)-wurtzite ZnO/(0001)-Mg(OH)2 heterostructures are considered. The O 2s level energy is obtained for each O atom in the heterostructure supercell, and the band edge energies are evaluated following the procedure of the core-level spectroscopy. The calculation is based on the generalized gradient approximation with the on-site Coulomb interaction parameter U considered for Zn. For MgO/Mg(OH)2, the band alignment is of type II, and the valence band edge of MgO is higher by 1.6 eV than that of Mg(OH)2. For ZnO/Mg(OH)2, the band alignment is of type I, and the valence band edge of ZnO is higher by 0.5 eV than that of Mg(OH)2. Assuming the transitivity rule, it is expected that Mg(OH)2 can be used for certain types of heterostructure solar cells and dye-sensitized solar cells to improve the performance.


2021 ◽  
Author(s):  
Giorgia Olivieri ◽  
Gregor Kladnik ◽  
Dean Cvetko ◽  
Matthew A. Brown

The electronic structure of hydrated nanoparticles can be unveiled by coupling a liquid microjet with a resonant photoemission spectroscopy.


2006 ◽  
Vol 3 (6) ◽  
pp. 1850-1853 ◽  
Author(s):  
Y. Ishitani ◽  
W. Terashima ◽  
S. B. Che ◽  
A. Yoshikawa

RSC Advances ◽  
2019 ◽  
Vol 9 (20) ◽  
pp. 11377-11384 ◽  
Author(s):  
Kaili Wei ◽  
Baolai Wang ◽  
Jiamin Hu ◽  
Fuming Chen ◽  
Qing Hao ◽  
...  

It's highly desired to design an effective Z-scheme photocatalyst with excellent charge transfer and separation, a more negative conduction band edge (ECB) than O2/·O2− (−0.33 eV) and a more positive valence band edge (EVB) than ·OH/OH− (+2.27 eV).


2021 ◽  
Vol 586 ◽  
pp. 39-46
Author(s):  
Vanasundaram Natarajan ◽  
P. Naveen Kumar ◽  
Muneer Ahmad ◽  
Jitender Paul Sharma ◽  
Anil Kumar Chaudhary ◽  
...  

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