5 papers
Charge redistribution at metal-ZrO2 interfaces: A combined DFT and continuum electrostatic study
Ximeng Wang, Yongfeng Zhang, Dmitry Skachkov +5
Nanoscale metallic inclusions (NMIs) are commonly observed within oxide scales formed during high-temperature oxidation, revealing the existence of chemical and electronic heteroge…
On-chip high-order parametric downconversion in the excitonic Mott insulator NbCl for programmable multiphoton entangled states
Dmitry Skachkov, Dirk R. Englund, Michael N. Leuenberger
Spontaneous parametric downconversion (SPDC) and four-wave mixing in and media underpin most entangled-photon sources, but direct generation of higher-order e…
Multiferroic Dark Excitonic Mott Insulator in the Breathing-Kagome Lattice Material NbCl
Mahtab A. Khan, Naseem Ud Din, Dmitry Skachkov +2
Flat electronic bands strongly enhance Coulomb interactions and can stabilize unconventional insulating states. Motivated by the recent discovery of flat bands in breathing Kagome…
Tuning the Magnetic Anisotropy Energy of MoS-supported Mn complexes by Electric Field: A First-Principles Study
Shuanglong Liu, Adam V. Bruce, Dmitry Skachkov +2
In this work, we examine low-energy adsorption configurations of four dodecanuclear manganese single-molecule magnets [MnO(OCR)(HO)] (Mn), w…
Linear and nonlinear optical response based on many-body GW-Bethe-Salpeter and Kadanoff-Baym approaches for two-dimensional layered semiconductors
Dmitry Skachkov, Dirk R. Englund, Michael N. Leuenberger
The family of 2D layered semiconductors, including transition metal chalcogenides (TMCs) of the form MX (M=Ga, In; X=S, Se, Te) exhibit exceptional nonlinear optical properties. Th…