DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity
It is known that the Kohn–Sham eigenvalues do not characterize experimental excitation
energies directly, and the band gap of a semiconductor is typically underestimated by local …
energies directly, and the band gap of a semiconductor is typically underestimated by local …
The fundamental surface science of wurtzite gallium nitride
VM Bermudez - Surface Science Reports, 2017 - Elsevier
A review is presented that covers the experimental and theoretical literature relating to the
preparation, electronic structure and chemical and physical properties of the surfaces of the …
preparation, electronic structure and chemical and physical properties of the surfaces of the …
Observation of polarity-switchable photoconductivity in III-nitride/MoSx core-shell nanowires
III–V semiconductor nanowires are indispensable building blocks for nanoscale electronic
and optoelectronic devices. However, solely relying on their intrinsic physical and material …
and optoelectronic devices. However, solely relying on their intrinsic physical and material …
High-sensitivity and fast-speed UV photodetectors based on asymmetric nanoporous-GaN/graphene vertical junction
T Hu, L Zhao, Y Wang, H Lin, S Xie, Y Hu, C Liu… - ACS …, 2023 - ACS Publications
GaN-based photodetectors are strongly desirable in many advanced fields, such as space
communication, environmental monitoring, etc. However, the slow photo-response speed in …
communication, environmental monitoring, etc. However, the slow photo-response speed in …
Controlling surface/interface states in GaN-based transistors: Surface model, insulated gate, and surface passivation
Controlling surface/interface states in GaN-based transistors: Surface model, insulated gate,
and surface passivation | Journal of Applied Physics | AIP Publishing Skip to Main Content …
and surface passivation | Journal of Applied Physics | AIP Publishing Skip to Main Content …
Stability and performance of sulfide-, nitride-, and phosphide-based electrodes for photocatalytic solar water splitting
J Su, Y Wei, L Vayssieres - The journal of physical chemistry …, 2017 - ACS Publications
With the past decade of worldwide sustained efforts on artificial photosynthesis for
photocatalytic solar water splitting and clean hydrogen generation by dedicated researchers …
photocatalytic solar water splitting and clean hydrogen generation by dedicated researchers …
Improved LDA-1/2 method for band structure calculations in covalent semiconductors
Abstract The LDA-1/2 method for self-energy correction is a powerful tool for calculating
accurate band structures of semiconductors, while keeping the computational load as low as …
accurate band structures of semiconductors, while keeping the computational load as low as …
Interplay of sidewall damage and light extraction efficiency of micro-LEDs
This Letter describes the impact of shape on micro light-emitting diodes (µLEDs), analyzing
400 µm^ 2 area µLEDs with various mesa shapes (circular, square, and stripes). Appropriate …
400 µm^ 2 area µLEDs with various mesa shapes (circular, square, and stripes). Appropriate …
Ab initio hybrid DFT calculations of BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces
RI Eglitis - Applied Surface Science, 2015 - Elsevier
The results of ab initio calculations for polar BaTiO 3, PbTiO 3, SrZrO 3 and PbZrO 3 (111)
surfaces using the CRYSTAL code are presented. By means of the hybrid B3LYP approach …
surfaces using the CRYSTAL code are presented. By means of the hybrid B3LYP approach …
Free-standing 2D gallium nitride for electronic, excitonic, spintronic, piezoelectric, thermoplastic, and 6G wireless communication applications
Two-dimensional gallium nitride (2D GaN) with a large direct bandgap of~ 5.3 eV, a high
melting temperature of~ 2500° C, and a large Young's modulus~ 20 GPa developed for …
melting temperature of~ 2500° C, and a large Young's modulus~ 20 GPa developed for …