Publications by authors named "V N Antropov"
Article Synopsis
- Borides are materials with unique properties and potential for new applications due to their varied compositions and structures.
- A new workflow combines crystal structure prediction and automated diffraction pattern matching, enabling the exploration of the uncharted Mg-Fe-B compositional space, resulting in the classification of 275 ternary boride prototypes.
- The discoveries include stable structures that could serve as superionic conductors and electrode materials for batteries, suggesting promising future applications and further material exploration opportunities.
Article Synopsis
- The quest for room-temperature superconductors is a significant challenge in modern physics, initially sparked by the discovery of copper-oxide superconductors in 1986, which introduced complex mechanisms to understand.
- In addition to traditional mechanisms enabling superconductivity like electron-phonon coupling (EPC), new hydrogen compounds discovered since 2015 are showing promise for achieving room-temperature superconductivity under high pressures.
- Advances in exascale computing have revolutionized the exploration of superconducting materials, leading to numerous new predictions for 2023-2024, particularly in hydrides and boron-carbon systems, while also highlighting the gap between computational predictions and experimental confirmations.
Article Synopsis
- Dimerized quantum magnets are unique materials that exhibit Bose-Einstein condensation of magnetic excitations, but examples have been limited to a few oxides and halides.
- This research identifies 9 new dimerized quantum magnets and 11 conventional antiferromagnets in ternary metal borides, featuring strong antiferromagnetic interactions within structural dimers created by specific metal arrangements.
- The discovery enhances our understanding of quantum critical points and spin-gap phases, offering a platform for doping studies and exploring unconventional and conventional magnetic transitions in these newly identified materials.
A high-throughput screening using density functional calculations is performed to search for stable boride superconductors from the existing materials database. The workflow employs the fast frozen-phonon method as the descriptor to evaluate the superconducting properties quickly. Twenty-three stable candidates were identified during the screening.
View Article and Find Full Text PDFBoron-carbon compounds have been shown to have feasible superconductivity. In our earlier paper [Zheng , , 2023, , 014508], we identified a new conventional superconductor of LiBC at 100 GPa. Here, we aim to extend the investigation of possible superconductivity in this structural framework by replacing Li atoms with 27 different cations from periods 3, 4, and 5 under pressures ranging from 0 to 100 GPa.
View Article and Find Full Text PDF