Zobrazeno 1 - 10
of 211
pro vyhledávání: '"Paulsson, Magnus"'
Publikováno v:
J. Phys. Condens. Matter 29, 505301 (2017)
We present a method used to intuitively interpret the STM contrast by investigating individual wave functions originating from the substrate and tip side. We use localized basis orbital density functional theory, and propagate the wave functions into
Externí odkaz:
http://arxiv.org/abs/1709.03292
Autor:
Gustafsson, Alexander, Okabayashi, Norio, Peronio, Angelo, Giessibl, Franz J., Paulsson, Magnus
Publikováno v:
Phys. Rev. B 96, 085415 (2017)
We describe a first principles method to calculate scanning tunneling microscopy (STM) images, and compare the results to well-characterized experiments combining STM with atomic force microscopy (AFM). The theory is based on density functional theor
Externí odkaz:
http://arxiv.org/abs/1703.07883
Autor:
Schmitz, Eva *, Francis, Juanita, Gutke, Katarina, Nordberg Karlsson, Eva, Adlercreutz, Patrick, Paulsson, Magnus
Publikováno v:
In Biotechnology Reports June 2021 30
Publikováno v:
Phys. Rev. B 93, 115434 (2016)
We present a method capable of calculating elastic scanning tunneling microscopy (STM) currents from localized atomic orbital density functional theory (DFT). To overcome the poor accuracy of the localized orbital description of the wave functions fa
Externí odkaz:
http://arxiv.org/abs/1512.00702
Autor:
Okabayashi, Norio, Gustafsson, Alexander, Peronio, Angelo, Paulsson, Magnus, Arai, Toyoko, Giessibl, Franz J.
Publikováno v:
Phys. Rev. B 93, 165415 (2016)
Achieving a high intensity in inelastic scanning tunneling spectroscopy (IETS) is important for precise measurements. The intensity of the IETS signal can vary up to a factor three for various tips without an apparent reason accessible by scanning tu
Externí odkaz:
http://arxiv.org/abs/1504.04790
Publikováno v:
Phys. Rev. B 90, 165413 (2014)
To describe vibrationally mediated configuration changes of adsorbates on surfaces we have developed a new theory to calculate both reaction rates and pathways. The method uses the T-matrix to describe excitations of vibrational states by the electro
Externí odkaz:
http://arxiv.org/abs/1406.5913
Publikováno v:
Phys. Rev. B 89, 165418 (2014)
A comprehensive analysis of the elementary processes behind the scanning tunneling microscope controlled rotation of C$_2$H$_2$ and C$_2$D$_2$, isotopologues of a single acetylene molecule adsorbed on the Cu(001) surface is given, with a focus on the
Externí odkaz:
http://arxiv.org/abs/1312.7113
Publikováno v:
Phys. Rev. Lett. 111, 186102 (2013)
We study the elementary processes behind one of the pioneering works on STM controlled reactions of single molecules [Stipe et al., Phys. Rev. Lett. 81, 1263 (1998)]. Using the Keldysh-Green function approach for the vibrational generation rate in co
Externí odkaz:
http://arxiv.org/abs/1307.7550
Publikováno v:
Phys. Rev. B 84, 193403 (2011)
Recent low-temperature scanning-tunneling microscopy experiments [T. Kumagai et al., Phys. Rev. B 79, 035423 (2009)] observed the vibrationally induced flip motion of a hydroxyl dimer (OD)2 on Cu(110). We propose a model to describe two-level fluctua
Externí odkaz:
http://arxiv.org/abs/1111.2252
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America, 2018 May 01. 115(18), 4571-4576.
Externí odkaz:
https://www.jstor.org/stable/26508721