Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Jakyoung Song"'
Publikováno v:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. :451-458
Triplet-state electronic excitations in quartz were studied using density functional theory (DFT). By using periodic boundary conditions, the lattice response and electronic structure relaxations can be determined in the bulk. Several self-trapped ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::35d9fc2c8136772bc06a004890cb10a5
https://doi.org/10.1016/s0168-583x(99)00785-5
https://doi.org/10.1016/s0168-583x(99)00785-5
Publikováno v:
Superlattices and Microstructures. 20:405-410
Ab initio calculations of the optical properties of silicon clusters of 20, 60, and 70 atoms are presented. Quantum molecular dynamics using a minimal sp 3 basis set are performed to find metastable and equilibrium atomic configurations. The optical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d66fd4810969a8cd96a5e08ca8ef680d
https://doi.org/10.1006/spmi.1996.0096
https://doi.org/10.1006/spmi.1996.0096
Autor:
Jakyoung Song, Sergio E. Ulloa
Publikováno v:
Physical Review B. 52:9015-9022
Excitons confined to flat semiconductor quantum dots with elliptical cross section are considered as we study geometrical effects on exciton binding energy, electron-hole separation, and the resulting linear optical properties. We use numerical matri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::614716d302c1cbb4ce59594c040a8f6e
https://doi.org/10.1103/physrevb.52.9015
https://doi.org/10.1103/physrevb.52.9015
Autor:
R. L. Cappelletti, Jakyoung Song
Publikováno v:
Physical Review B. 50:14678-14681
The potential energies per atom of pure graphite and of ${\mathrm{C}}_{60}$ stage-one graphite intercalation compound (GIC) are compared in a calculation based on summing pairwise a Lennard-Jones 12-6 potential between all mass points with parameters
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1c997a497e1f54a877be211fa37da076
https://doi.org/10.1103/physrevb.50.14678
https://doi.org/10.1103/physrevb.50.14678
Publikováno v:
2008 International Conference on Simulation of Semiconductor Processes and Devices.
In this work, density functional theory calculations are used to calculate the separate effects of stress/strain and chemical binding on diffusion, segregation and solubility of dopants in group IV alloy materials. Kinetic lattice Monte Carlo calcula
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::751c48e0532d9c415457522be65a9c39
https://doi.org/10.1109/sispad.2008.4648305
https://doi.org/10.1109/sispad.2008.4648305
Publikováno v:
MRS Proceedings. 913
Using an extensive series of first principles calculations, we have developed general models for the change in energy of boron migration state via interstitial mechanism as a function of local alloy configuration. The model is based on consideration
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3d1bf927dcb1f046a5ebbfa7d872c9d7
https://doi.org/10.1557/proc-0913-d05-07
https://doi.org/10.1557/proc-0913-d05-07
Autor:
Jakyoung Song, Mansoo Choi
Publikováno v:
Physical Review B. 65
The stability of elongated and compact types of structure in ${\mathrm{SiO}}_{2}$ nanoparticles was studied using plane-wave density-functional theory. Calculations were carried out on small ${\mathrm{SiO}}_{2}$ nanoparticles with 12--46 molecules. I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eccb3a56f00028835fb7e1cca569011c
https://doi.org/10.1103/physrevb.65.241302
https://doi.org/10.1103/physrevb.65.241302
Publikováno v:
Physical Review B. 64
We have used density-functional theory and the nudged elastic-band method to calculate migration pathways and estimated the activation energy for the diffusion of oxygen vacancies in \ensuremath{\alpha}-quartz. While the energy barrier for the diffus
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b3b4606c0be85c471120eed3426322d
https://doi.org/10.1103/physrevb.64.134102
https://doi.org/10.1103/physrevb.64.134102
Publikováno v:
Physical Review B. 63
The light absorption of silica nanoparticles generated in a flame has been measured in visible light. It was revealed that the frequency dependence of the light absorption coefficient is nonexponential. Its absolute value in the forbidden band was fo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3cdd4e4a009d9d07c88a7da40233080
https://doi.org/10.1103/physrevb.63.161402
https://doi.org/10.1103/physrevb.63.161402
Publikováno v:
Faraday discussions. (117)
We have studied self-trapped excitons in α-quartz using density functional theory (DFT), both in the crystal and at the (0001) surface. The excitons are triplet excited states that distort the crystal locally. They have a long lifetime, of the order
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::055ac9514d5a4a9ece0b7d9499a56169
https://pubmed.ncbi.nlm.nih.gov/11272000
https://pubmed.ncbi.nlm.nih.gov/11272000