The kagome bands hosting exotic quantum phases generally and understandably pertain
only to a kagome lattice. This has severely hampered the research of kagome physics due to …

Here we report a method of finding multiple crystal structures similar to the known crystal
structures of materials on database through machine learning. The radial distribution …

We perform ab initio structure-prediction calculations of the low-energy crystal structures of
two-dimensional silicon. Besides the well-known silicene and a few other allotropes …

Two-dimensional SnSe 2 has become more and more attractive due to the excellent
electronic, optoelectronic, and thermoelectric properties. However, the study on magnetic …

This paper is a contribution to the joint Physical Review Applied and Physical Review
Materials collection titled Two-Dimensional Materials and Devices. Borides of group-IB and …

The analysis of graphs and networks is a multidisciplinary research field from its origin. As
such, it has been extensively used also in biomedicine, cheminformatics, and in …

The magnetic and optical properties for double impurities (Fe, Mn) doped SnSe 2 are
investigated by first principles calculations. We calculate that the magnetic moments of Fe …

Based on first principles calculations, we scrutinized the impact of vacancies and doping on
the electronic, magnetic, and optical properties of the 1T-PdS 2 monolayer. Our findings …

Understanding the band alignment at oxide surfaces is of great importance for designing
oxide-surface-based electronic, catalytic, and photocatalytic applications. We systematically …

Quasiparticle excitations beyond the Dirac-Weyl-Majorana classification can appear in
lattice systems due to a lesser symmetry constraint compared with Poincaré symmetry in …