The theoretical treatment of complex oxide structures requires a combination of efficient methods to calculate structural, electronic, and magnetic properties, due to special …
The electronic, optical and chemical properties of two-dimensional transition metal dichalcogenides strongly depend on their three-dimensional atomic structure and crystal …
We present a systematic study of the electronic and magnetic properties of two-dimensional ordered alloys, consisting of two representative hosts (MnPS3 and NiPS3) of transition metal …
Motivated by the recent wealth of exotic magnetic phases emerging in two-dimensional frustrated lattices, we investigate the origin of possible magnetism in the monolayer family of …
The heterojunction formed when wide bandgap oxides come into contact with perovskite solar cells is essential for high efficiency as it minimizes charge leakage along with charge …
S Shi, L Wang, K Zhou - Computer Physics Communications, 2023 - Elsevier
Reconstructing hadron spectral functions through Euclidean correlation functions are of the important missions in lattice QCD calculations. However, in a Källen–Lehmann (KL) spectral …
We report for the first time the synthesis of [C (NH2) 3] Cr (HCOO) 3 stabilizing Cr2+ in formate perovskite, which adopts a polar structure and orders magnetically below 8 K. We …
Intercalation compounds are popular candidate electrode materials for sodium-ion batteries and other 'beyond lithium-ion'technologies including potassium-and magnesium-ion …
We studied the effect of hydrostatic pressure on the magnetic properties of the highly anisotropic van der Waals ferromagnetic metal Fe 3 Ge Te 2 (FGT) with the field applied …