Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. A recent JPCM paper… Read More ›
Electronic structure
Reconciliation between atomic and electronic structure periodicity in Si(111)-7×7
For the first time, a 7×7 intensity modulation of electronic band structure has been observed in the 7×7–reconstructed Si(111) surface. Sheverdyaeva et al. give an account of their research published in Journal of Physics: Condensed Matter.
Image of the week: Photoemission intensity map of KFeCoAs2
Electronic structure of Iron based superconductors.
Solar energy and the sunshine map
How sunny is your part of the world? Find out, and also learn more about the theory of solar energy materials, here.
Taking a look at surface segregation
Find out more about the topic of surface segregation with this special issue in JPCM.
JPCM workshop for young researchers
Find out about the first IOP young researchers workshop, held in late October in Beijing.
JPCM’s new methods section – some early highlights
In March this year JPCM launched a new section: Computational and experimental methods. Here we highlight some of the papers published so far.
May’s LabTalks in JPhysB
I round up the LabTalks we published last month.
Image of the week: electrons in buckyballs
Carbon is well known for being found in many forms, from diamond to graphene and much more. Buckminsterfullerene – football-like molecules made of 60 carbon atoms – is of great interest to physicists and chemists working in a number of… Read More ›