scholarly journals Engineering the energy gap near the valence band edge in Mn-incorporated Cu3Ga5Te9 for an enhanced thermoelectric performance

2016 ◽  
Vol 4 (34) ◽  
pp. 8014-8019 ◽  
Author(s):  
Jiaolin Cui ◽  
Zheng Sun ◽  
Zhengliang Du ◽  
Yimin Chao
Keyword(s):  
Valence Band ◽  
Potential Barrier ◽  
Energy Gap ◽  
Band Edge ◽  
Thermoelectric Performance ◽  
Thermal Excitation ◽  
Valence Band Edge ◽  
Mn Substitution ◽  
Valence Bands

Mn substitution for Cu in Cu3Ga5Te9 engineers the energy gap (ΔEA) between impurity and valence bands, which is responsible for the reduction of the potential barrier for thermal excitation of carriers.

scholarly journals Calculation of Band Offsets of Mg(OH)2-Based Heterostructures

2021 ◽  
Vol 2 (3) ◽  
pp. 274-283
Author(s):  
Masaya Ichimura
Keyword(s):  
Solar Cells ◽  
Valence Band ◽  
Dye Sensitized Solar Cells ◽  
Band Alignment ◽  
First Principles Calculation ◽  
Band Edge ◽  
Level Energy ◽  
Type I ◽  
Valence Band Edge ◽  
Generalized Gradient

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.

scholarly journals Determination of the valence band edge of Fe oxide nanoparticles dispersed in aqueous solution through resonant photoelectron spectroscopy from a liquid microjet

2021 ◽  
Author(s):  
Giorgia Olivieri ◽  
Gregor Kladnik ◽  
Dean Cvetko ◽  
Matthew A. Brown
Keyword(s):  
Aqueous Solution ◽  
Electronic Structure ◽  
Valence Band ◽  
Photoelectron Spectroscopy ◽  
Band Edge ◽  
Photoemission Spectroscopy ◽  
Oxide Nanoparticles ◽  
Valence Band Edge ◽  
Resonant Photoemission

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

scholarly journals Defects in SiC for Quantum Computing

MRS Advances ◽  
2019 ◽  
Vol 4 (40) ◽  
pp. 2217-2222
Author(s):  
Renu Choudhary ◽  
Rana Biswas ◽  
Bicai Pan ◽  
Durga Paudyal
Keyword(s):  
Band Gap ◽  
Valence Band ◽  
Density Functional ◽  
Single Photon ◽  
Band Edge ◽  
Valence Band Edge ◽  
Dangling Bonds ◽  
Defect Levels ◽  
Formation Energies ◽  
Qubit Operation

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.

Conduction and valence band edge properties of hexagonal InN characterized by optical measurements

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

scholarly journals Photocatalytic properties of a new Z-scheme system BaTiO3/In2S3 with a core–shell structure

RSC Advances ◽  
2019 ◽  
Vol 9 (20) ◽  
pp. 11377-11384 ◽  
Author(s):  
Kaili Wei ◽  
Baolai Wang ◽  
Jiamin Hu ◽  
Fuming Chen ◽  
Qing Hao ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Valence Band ◽  
Conduction Band ◽  
Shell Structure ◽  
Band Edge ◽  
Conduction Band Edge ◽  
Core Shell ◽  
Valence Band Edge ◽  
Core Shell Structure ◽  
Positive Valence

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).

Effect of electron-phonon interaction and valence band edge shift for carrier-type reversal in layered ZnS/rGO nanocomposites

2021 ◽  
Vol 586 ◽  
pp. 39-46
Author(s):  
Vanasundaram Natarajan ◽  
P. Naveen Kumar ◽  
Muneer Ahmad ◽  
Jitender Paul Sharma ◽  
Anil Kumar Chaudhary ◽  
...  
Keyword(s):  
Valence Band ◽  
Band Edge ◽  
Valence Band Edge ◽  
Phonon Interaction ◽  
Electron Phonon Interaction

Valence Band Edge Shifts and Charge-transfer Dynamics in Li-Doped NiO Based p-type DSSCs

2016 ◽  
Vol 188 ◽  
pp. 309-316 ◽  
Author(s):  
Lifang Wei ◽  
Linpeng Jiang ◽  
Shuai Yuan ◽  
Xin Ren ◽  
Yin Zhao ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Valence Band ◽  
Band Edge ◽  
Valence Band Edge ◽  
Charge Transfer Dynamics ◽  
P Type

Valence-Band-Edge Energy of Group-III Nitride Alloy Semiconductors

1995 ◽  
Vol 34 (Part 1, No. 5A) ◽  
pp. 2213-2215
Author(s):  
Sadanojo Nakajima ◽  
Tao Yang ◽  
Shiro Sakai
Keyword(s):  
Valence Band ◽  
Band Edge ◽  
Valence Band Edge ◽  
Group Iii ◽  
Alloy Semiconductors ◽  
Group Iii Nitride
Sign in / Sign up

Export Citation Format

Share Document