Zobrazeno 1 - 10
of 31
pro vyhledávání: '"Smolyanyuk, Andriy"'
Altermagnets (AM) is a recently discovered class of collinear magnets that share some properties (anomalous transport, etc) with ferromagnets, some (zero net magnetization) with antiferromagnets, while also exhibiting unique properties (spin-splittin
Externí odkaz:
http://arxiv.org/abs/2401.08784
Publikováno v:
J. Phys. A: Math. Theor. 56 455307 (2023)
We present an algorithm for the determination of the local symmetry group for arbitrary k-points in 3D Brillouin zones. First, we test our implementation against tabulated results available for standard high-symmetry points (given by universal fracti
Externí odkaz:
http://arxiv.org/abs/2310.13568
Publikováno v:
Phys. Rev. B 109, 134424 (2024)
Altermagnetism is a topic that has lately been gaining attention and the RuO$_2$ compound is among one of the most studied altermagnetic candidates. However, the survey of available literature on RuO$_2$ properties suggests that there is no consensus
Externí odkaz:
http://arxiv.org/abs/2310.06909
Autor:
Si, Liang, Wallerberger, Markus, Smolyanyuk, Andriy, di Cataldo, Simone, Tomczak, Jan M., Held, Karsten
We briefly review the status quo of research on the putative superconductor Pb$_9$Cu(PO$_4$)$_6$O also known as LK-99. Further, we provide {\em ab initio} derived tight-binding parameters for a two- and five-band model, and solve these in dynamical-m
Externí odkaz:
http://arxiv.org/abs/2308.04427
Autor:
Esters, Marco, Smolyanyuk, Andriy, Oses, Corey, Hicks, David, Divilov, Simon, Eckert, Hagen, Campilongo, Xiomara, Toher, Cormac, Curtarolo, Stefano
Disordered materials are attracting considerable attention because of their enhanced properties compared to their ordered analogs, making them particularly suitable for high-temperature applications. The feasibility of incorporating these materials i
Externí odkaz:
http://arxiv.org/abs/2212.00919
Autor:
Esters, Marco, Oses, Corey, Divilov, Simon, Eckert, Hagen, Friedrich, Rico, Hicks, David, Mehl, Michael J., Rose, Frisco, Smolyanyuk, Andriy, Calzolari, Arrigo, Campilongo, Xiomara, Toher, Cormac, Curtarolo, Stefano
To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it - all while considering the diversity of u
Externí odkaz:
http://arxiv.org/abs/2207.09842
Autor:
Mehl, Michael J., Ronquillo, Mateo, Hicks, David, Esters, Marco, Oses, Corey, Friedrich, Rico, Smolyanyuk, Andriy, Gossett, Eric, Finkenstadt, Daniel, Curtarolo, Stefano
Publikováno v:
Phys. Rev. Materials 5, 083608 (2021)
At ambient pressure tin transforms from its ground-state semi-metal $\alpha$-Sn (diamond structure) phase to the compact metallic $\beta$-Sn phase at 13$^\circ$C (286K). There may be a further transition to the simple hexagonal $\gamma$-Sn above 450K
Externí odkaz:
http://arxiv.org/abs/2010.07168
Publikováno v:
Phys. Rev. B 100, 235114 (2019)
We propose an insulating 2D phase of IrO$_{2}$, predicted by $\textit{ab initio}$ evolutionary algorithms. The predicted phase is a van der Waals crystal, in which Ir forms a triangular lattice, and is energetically competitive with the metastable sp
Externí odkaz:
http://arxiv.org/abs/1907.01966
Autor:
Esters, Marco, Oses, Corey, Divilov, Simon, Eckert, Hagen, Friedrich, Rico, Hicks, David, Mehl, Michael J., Rose, Frisco, Smolyanyuk, Andriy, Calzolari, Arrigo, Campilongo, Xiomara, Toher, Cormac, Curtarolo, Stefano
Publikováno v:
In Computational Materials Science 5 January 2023 216
Publikováno v:
Phys. Rev. B 98, 115158 (2018)
Using $\textit{ab-initio}$ crystal structure prediction we study the high-pressure phase diagram of $\textit{A}BiO_3$ bismuthates ($A$=Ba, Sr, Ca) in a pressure range up to 100$~$GPa. All compounds show a transition from the low-pressure perovskite s
Externí odkaz:
http://arxiv.org/abs/1807.05907