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6 papers · 2 filters
The GW compendium: A practical guide to theoretical photoemission spectroscopy
Dorothea Golze, Marc Dvorak, Patrick Rinke
The GW approximation in electronic structure theory has become a widespread tool for predicting electronic excitations in chemical compounds and materials. In the realm of theoreti…
A minimal Tersoff potential for diamond silicon with improved descriptions of elastic and phonon transport properties
Zheyong Fan, Yanzhou Wang, Xiaokun Gu +3
Silicon is an important material and many empirical interatomic potentials have been developed for atomistic simulations of it. Among them, the Tersoff potential and its variants a…
Perforating freestanding molybdenum disulfide monolayers with highly charged ions
Roland Kozubek, Mukesh Tripathi, Mahdi Ghorbani-Asl +12
Porous single layer molybdenum disulfide (MoS) is a promising material for applications such as DNA sequencing and water desalination. In this work, we introduce irradiation wi…
Graphene resonator as an ultrasound detector for generalized Love waves in a polymer film with two level states
Antti Laitinen, Jukka-Pekka Kaikkonen, Thanniyil S. Abhilash +6
We have investigated surface shear waves at 22 MHz in a 0.5-micron-thick polymer film on SiO2/Si substrate at low temperatures using suspended and non-suspended graphene as detecto…
Electron-Beam Manipulation of Silicon Impurities in Single-Walled Carbon Nanotubes
Kimmo Mustonen, Alexander Markevich, Mukesh Tripathi +7
The recent discovery that impurity atoms in crystals can be manipulated with focused electron irradiation has opened novel perspectives for top-down atomic engineering. These achie…
Efficient method for calculating Raman spectra of solids with impurities and alloys and its application to two-dimensional transition metal dichalcogenides
Arsalan Hashemi, Arkady V. Krasheninnikov, Martti Puska +1
Raman spectroscopy is a widely used, powerful, and nondestructive tool for studying the vibrational properties of bulk and low-dimensional materials. Raman spectra can be simulated…