The mechanism of high-temperature superconductivity in the iron-based superconductors
remains an outstanding issue in condensed matter physics. The electronic structure plays an …

By the first-principles electronic structure calculations, we find that the ground state of PbO-type
tetragonal α-FeTe is in a bicollinear antiferromagnetic order, in which the Fe local …

Owing to the unusual geometry of kagome lattices—lattices made of corner-sharing triangles—their
electrons are useful for studying the physics of frustrated, correlated and topological …

Silicon is the most important semiconducting material in the microelectronics industry. If current
miniaturization trends continue, minimum device features will soon approach the size of …

Coronavirus disease 2019 (COVID-19) is caused by infection with severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) 1 , 2 – 3 and individuals with COVID-19 have …

Background Many of the mutations accumulated by naturally evolving proteins are neutral
in the sense that they do not significantly alter a protein's ability to perform its primary …

Background An important question is whether evolution favors properties such as mutational
robustness or evolvability that do not directly benefit any individual, but can influence the …

Oxygen vacancies in S i O 2 have long been regarded as bistable, forming a Si-Si dimer
when neutral and a puckered configuration when positively charged. We report first-principles …

In the past 20 years, there has been a major stride in understanding the core mechanism of
anaerobic ammonium-oxidizing (anammox) bacteria, but there are still several discussion …

The chemical interrogation of individual atomic adsorbates on a surface significantly contributes
to understanding the atomic-scale processes behind on-surface reactions. However, it …