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4 papers · 2 filters
Quartz tuning fork as a probe of surface waves
Igor Todoshchenko, Alexander Savin, Miika Haataja +2
Quartz tuning forks are high-quality mechanical oscillators widely used in low temperature physics as viscometers, thermometers and pressure sensors. We demonstrate that a fork pla…
Mass transport of adsorbates near a discontinuous structural phase transition
E. Granato, S. C. Ying, K. R. Elder +1
We study the mass transport dynamics of an adsorbed layer near a discontinuous incommensurate striped-honeycomb phase transition via numerical simulations of a coarse-grained model…
Lattice Dynamics Calculations based on Density-functional Perturbation Theory in Real Space
Honghui Shang, Christian Carbogno, Patrick Rinke +1
A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The…
Theory and applications of generalized Pipek--Mezey Wannier functions
Elvar Ö. Jónsson, Susi Lehtola, Martti Puska +1
The theory for the generation of Wannier functions within the generalized Pipek--Mezey approach [Lehtola, S.; Jónsson, H. J. Chem. Theory Comput. 2014, 10, 642] is presented and an…