scholarly journals Phase-field-crystal dynamics for binary systems: Derivation from dynamical density functional theory, amplitude equation formalism, and applications to alloy heterostructures

2010 ◽  
Vol 82 (2) ◽  
Author(s):  
Zhi-Feng Huang ◽  
K. R. Elder ◽  
Nikolas Provatas
Keyword(s):  
Density Functional Theory ◽  
Phase Field ◽  
Density Functional ◽  
Binary Systems ◽  
Amplitude Equation ◽  
Functional Theory ◽  
Crystal Dynamics ◽  
Phase Field Crystal

Phase-field crystal modeling and classical density functional theory of freezing

2007 ◽  
Vol 75 (6) ◽  
Author(s):  
K. R. Elder ◽  
Nikolas Provatas ◽  
Joel Berry ◽  
Peter Stefanovic ◽  
Martin Grant
Keyword(s):  
Density Functional Theory ◽  
Phase Field ◽  
Density Functional ◽  
Functional Theory ◽  
Phase Field Crystal

Doping effects on the geometric and electronic structure of tin clusters

2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Beam Deflection ◽  
Functional Theory ◽  
Doping Effects ◽  
Depth Analysis ◽  
Trajectory Simulations

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.

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