Zobrazeno 1 - 10
of 44
pro vyhledávání: '"Yoshiyuki Egami"'
Publikováno v:
Physical Review Research, Vol 3, Iss 1, p 013038 (2021)
We propose a first-principles method of efficiently evaluating electron-transport properties of very long systems. Implementing the recursive Green's function method and the shifted conjugate gradient method in the transport simulator based on real-s
Externí odkaz:
https://doaj.org/article/98910377d05e4292ac34313ffcfda08c
Autor:
Takanori Harashima, Yoshiyuki Egami, Kanji Homma, Yuki Jono, Satoshi Kaneko, Shintaro Fujii, Tomoya Ono, Tomoaki Nishino
Publikováno v:
Journal of the American Chemical Society. 144:17449-17456
Single-molecule measurements of biomaterials bring novel insights into cellular events. For almost all of these events, post-translational modifications (PTMs), which alter the properties of proteins through their chemical modifications, constitute e
Autor:
Yoshiyuki Egami, Hiroshi Akera
Publikováno v:
Physica E: Low-dimensional Systems and Nanostructures. 88:212-217
First-principles calculations are performed for electron transmission through a metallic zigzag carbon nanotube with substitutional BN dimers parallel to the nanotube axis. The transmission coefficient is calculated in the energy range (around the ch
Autor:
Masahiro Nagoshi, Yutaka Uda, Yoshiyuki Egami, Naomichi Furushiro, Sakuro Honda, Hiroaki Tanaka, Shoichi Shimada, Toshiki Ujimiya
Publikováno v:
Journal of the Japan Society for Precision Engineering. 83:762-769
Publikováno v:
Physical review / B 100(7), 075413 (2019). doi:10.1103/PhysRevB.100.075413
The computational cost of calculating the self-energy matrices used in first-principles transport-property calculations is proportional to the cube of the lateral length of electrodes. Therefore, the clarification of transport properties is difficult
Publikováno v:
Japanese Journal of Applied Physics. 59:100901
Adjusting compositions of two barriers forming a (111)-oriented InGaAs/AlGaAsSb quantum well (QW) is proposed as a method to eliminate the effective magnetic field due to the Rashba and linear-in-momentum Dresselhaus spin-orbit interactions in the ze
Publikováno v:
Quantum Matter. 4:403-415
We present details of our effective computational methods based on the real-space finite-difference formalism to elucidate electronic and magnetic properties of the two-dimensional (2D) materials within the framework of the density functional theory.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::636bda4ed8aad4b4555c4e3b8064943b
http://arxiv.org/abs/1610.00940
http://arxiv.org/abs/1610.00940
Autor:
Yoshiyuki Egami, Makoto Taniguchi
Publikováno v:
Japanese Journal of Applied Physics. 57:021601
Density functional studies are performed for the conformational stability of a Mn(dmit)2 molecule and the transport properties of a Mn(dmit)2 molecular junction as functions of the relative angle θ between the two planar ligands. For an isolated Mn(
Autor:
Yoshiyuki Egami
Publikováno v:
Journal of Computational and Theoretical Nanoscience. 6:2662-2667