Zobrazeno 1 - 10
of 39
pro vyhledávání: '"Geoffrey Tse"'
Autor:
Geoffrey Tse
Publikováno v:
AIP Advances, Vol 14, Iss 3, Pp 035240-035240-10 (2024)
In the present work, we choose the carbon-based halides CX4 (X = Br, Cl) to conduct a study on the ground-state properties using first-principles calculations based on density functional theory. We provide a comparative study for bromide and chloride
Externí odkaz:
https://doaj.org/article/0594b3efa21240a7901774764b4e1f62
Autor:
Geoffrey Tse
Publikováno v:
Materials Open, Vol 02, Iss (2024)
First-principle calculations and density functional theory (DFT) have been combined to comparatively investigate the band structure, phonon spectrum, and optical and elastic properties of one-dimensional nanotube-like Bi. Our calculation reveals that
Externí odkaz:
https://doaj.org/article/366da15cceeb41beac860c3f81fe3422
Autor:
Geoffrey Tse
Publikováno v:
Materials Open, Vol 02, Iss (2024)
In this work, a study on structural, electronic, optical, and mechanical properties of monoclinic-type Mo2S3 (space group P21/M) has been examined. Optimized lattice constants of [Formula: see text][Formula: see text]Å, [Formula: see text][Formula:
Externí odkaz:
https://doaj.org/article/82894b127dc842d08d7260cceb7eb73c
Autor:
Geoffrey Tse
Publikováno v:
AIP Advances, Vol 11, Iss 11, Pp 115211-115211-9 (2021)
In this work, the structural, electronic, optical, elastic, mechanical, and vibrational properties of the graphene-like gallium nitride (g-GaN) were investigated using hybrid functionals. The results of this study showed that g-GaN is a direct bandga
Externí odkaz:
https://doaj.org/article/c281006b68964391b8c3f1d5bc2c01a7
Autor:
Geoffrey Tse
Publikováno v:
International Journal of Modern Physics B.
The computational predictions of transition-metal tri-chalcogenide (TMTCs) were performed using ab initio density functional theory (DFT) to investigate the electronic band structure, the partial density of states (PDOS), optical absorptions, dielect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d102387d8c673107dbab91be880f4ac
https://doi.org/10.1142/s0217979224501455
https://doi.org/10.1142/s0217979224501455
Autor:
Geoffrey Tse
Publikováno v:
Modern Physics Letters B. 37
Ab Initio density functional theory (DFT) simulations have been employed to systematically explore the electronic, optical, elastic, mechanical and vibrational properties. In this study, we revealed that [Formula: see text]-CuI has a wide direct band
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ca346f65265a25a41fa4bdf9eac2a26
https://doi.org/10.1142/s0217984923500379
https://doi.org/10.1142/s0217984923500379
Autor:
Geoffrey Tse
Publikováno v:
Modern Physics Letters B. 37
Using ab initio first-principles calculations, we investigate the structural, electronic, optical, and vibrational properties of Silver Sulphide Ag3S and Selenide Ag3Se with nonlocal hybrids exchange-correlation functional. With our computational pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b41a8cbbf696568042f603f5379fb3f5
https://doi.org/10.1142/s0217984923500343
https://doi.org/10.1142/s0217984923500343
Autor:
Geoffrey Tse
Publikováno v:
International Journal of Modern Physics B.
This work investigates the effect of band structure, optical spectra, computed elastic coefficients, Bulk-to-Shear modulus ratio, Young’s modulus and Poisson’s ratio in metal selenide compounds and their influence on electronic, optical, and elas
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5f70d1b1bc8324ffa26e9c350c86d70
https://doi.org/10.1142/s0217979223502235
https://doi.org/10.1142/s0217979223502235
Autor:
Geoffrey Tse
Publikováno v:
Modern Physics Letters B. 36
In this paper, the electronic, optical, elastic, mechanical, and vibrational properties of glass B2O3 have been investigated. Simulations have been carried out including the P3121 structure. Our nonlocal empirical hybrid has accurately described the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::623c23747150a265a57d2dcae365ce25
https://doi.org/10.1142/s0217984922501020
https://doi.org/10.1142/s0217984922501020
Autor:
Geoffrey Tse
Publikováno v:
International Journal of Modern Physics B. 36
This work performs a computational prediction on SnSe2 and Te-doped bilayer material. Doping the Te element onto SnSe2 can lead to a decrease in bandgap [Formula: see text] energy (from 1.95 eV to 0.94 eV) and cause a drop in both conduction band (CB
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f47405cab5f57c5396ce236b0bda1fda
https://doi.org/10.1142/s0217979222501235
https://doi.org/10.1142/s0217979222501235