Publications by authors named "Vladimir 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.
The search for room-temperature superconductors is a major challenge in modern physics. The discovery of copper-oxide superconductors in 1986 brought hope but also revealed complex mechanisms that are difficult to analyze and compute. In contrast, the traditional electron-phonon coupling (EPC) mechanism facilitated the practical realization of superconductivity (SC) in metallic hydrogen.
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- 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 PDFWe perform a high-throughput screening on phonon-mediated superconductivity in a ternary metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 ground states and 78 low-energy metastable phases. From fast calculations of zone-center electron-phonon coupling, 43 compounds are revealed to show electron-phonon coupling strength higher than that of MgB.
View Article and Find Full Text PDFThe dependence of the magnetocrystalline anisotropy energy (MAE) in MCo (M = Y, La, Ce, Gd) and CoPt on the Coulomb correlations and strength of spin orbit (SO) interaction within the GGA + U scheme is investigated. A range of parameters suitable for the satisfactory description of key magnetic properties is determined. We show that for a large variation of SO interaction the MAE in these materials can be well described by the traditional second order perturbation theory.
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- Advanced materials characterization techniques are challenging due to the rapid increase in data acquisition and storage, necessitating new data assessment strategies.
- Machine learning methods, particularly mean shift theory, can efficiently analyze large sets of diffraction data in high-throughput experiments, helping to identify structural trends with low computational costs.
- This approach significantly improves the accuracy of structural phase classification and has led to the discovery of a new magnetic phase that could be a viable alternative for rare-earth free permanent magnets.
In this Letter we construct a spinor transport theory and derive the equations of motion for the distribution functions for currents in noncollinear magnetic multilayers. We find the length scale which characterizes the transverse spin current is of the order of 3 nm for a ferromagnetic 3d transition metal such as Co; this alters one's prediction of the spin torque generated for free magnetic layers less than 3 nm. In the limit of large exchange splitting we reproduce the results previously found for spin currents across noncollinear multilayers inasmuch as there are no transverse spin currents in the layers themselves in this limit.
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