108 citations · 281 across the 13 of their papers we have counts for
13 papers
Orientation-resolved tunnel spectroscopy of a triplet superconductor
Marcel Strohmeier, Andriy Smolyanyuk, Karsten Held +5
Although Cooper pairs in superconductors generally condense into a spin-singlet state, spin-triplet superconductivity has attracted sustained interest since it enables dissipationl…
Origin of Anomalous Hall effect in Cr-doped RuO
Andriy Smolyanyuk, Libor Šmejkal, Igor I. Mazin
RuO is one of the most highlighted candidates for altermagnetism. However, the most recent muon spin spectroscopy and neutron studies demonstrated the absence of magnetic order…
A tool to check whether a symmetry-compensated collinear magnetic material is antiferro- or altermagnetic
Andriy Smolyanyuk, Libor Šmejkal, Igor I. Mazin
Altermagnets (AM) is a recently discovered class of collinear magnets that share some properties (anomalous transport, etc) with ferromagnets, some (zero net magnetization) with an…
Local symmetry groups for arbitrary wavevectors
Emanuele Maggio, Andriy Smolyanyuk, Jan M. Tomczak
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…
Fragility of the magnetic order in the prototypical altermagnet RuO
Andriy Smolyanyuk, Igor I. Mazin, Laura Garcia-Gassull +1
Altermagnetism is a topic that has lately been gaining attention and the RuO compound is among one of the most studied altermagnetic candidates. However, the survey of availabl…
PbCu(PO)O: a Mott or charge transfer insulator in need of further doping for (super)conductivity
Liang Si, Markus Wallerberger, Andriy Smolyanyuk +3
We briefly review the status quo of research on the putative superconductor PbCu(PO)O also known as LK-99. Further, we provide {\em ab initio} derived tight-binding par…
QH-POCC: taming tiling entropy in thermal expansion calculations of disordered materials
Marco Esters, Andriy Smolyanyuk, Corey Oses +6
Disordered materials are attracting considerable attention because of their enhanced properties compared to their ordered analogs, making them particularly suitable for high-temper…
aflow++: a C++ framework for autonomous materials design
C. Oses, M. Esters, D. Hicks +17
The realization of novel technological opportunities given by computational and autonomous materials design requires efficient and effective frameworks. For more than two decades,…
aflow.org: A Web Ecosystem of Databases, Software and Tools
Marco Esters, Corey Oses, Simon Divilov +10
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…
The Tin Pest Problem as a Test of Density Functionals Using High-Throughput Calculations
Michael J. Mehl, Mateo Ronquillo, David Hicks +7
At ambient pressure tin transforms from its ground-state semi-metal -Sn (diamond structure) phase to the compact metallic -Sn phase at 13C (286K). There may be a furt…
prediction of a two-dimensional variant of the iridate IrO
Andriy Smolyanyuk, Markus Aichhorn, I. I. Mazin +1
We propose an insulating 2D phase of IrO, predicted by evolutionary algorithms. The predicted phase is a van der Waals crystal, in which Ir forms a trian…
study of (=Ba, Sr, Ca) under high pressure
Andriy Smolyanyuk, Cesare Franchini, Lilia Boeri
Using crystal structure prediction we study the high-pressure phase diagram of bismuthates (=Ba, Sr, Ca) in a pressure range up to 100G…
Ab-initio prediction of the high-pressure phase diagram of BaBiO3
Andriy Smolyanyuk, Lilia Boeri, Cesare Franchini
BaBiO3 is a well-known example of a 3D charge density wavecompound, in which the CDW behavior is induced by charge disproportionation at the Bi site. At ambient pressure, this comp…