Results 161 to 170 of about 15,196,329 (270)

Superlattice Symmetries Reveal Electronic Topological Transition in CaC6 with Pressure

open access: yesCrystals
The electronic properties of calcium-intercalated graphite (CaC6) as a function of pressure are revisited using density functional theory (DFT). The electronic band structures of CaC6, like many other layered superconducting materials, display cosine ...
Bruce Wang   +3 more
doaj   +1 more source

Constant inner potential DFT for modelling electrochemical systems under constant potential and bias

open access: yesnpj Computational Materials
Electrochemical systems play a decisive role in, e.g. clean energy conversion but understanding their complex chemistry remains an outstanding challenge.
Marko M. Melander   +3 more
doaj   +1 more source

Three-dimensional mapping of the altermagnetic spin splitting in CrSb

open access: yesNature Communications
Altermagnetism, a kind of collinear magnetism that is characterized by a momentum-dependent band and spin splitting without net magnetization, has recently attracted considerable interest.
Guowei Yang   +22 more
doaj   +1 more source

Electrostatic Field and Partial Fermi Level Pinning at the Pentacene−SiO2Interface [PDF]

open access: green, 2005
Liwei Chen   +5 more
openalex   +1 more source

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