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Strong electron-electron interaction can induce Mott insulating state, which is believed to host unusual correlated phenomena such as quantum spin liquid when quantum fluctuation dominates and unconventional superconductivity through…

Strongly Correlated Electrons · Physics 2025-04-24 Qiang Gao , Haiyang Chen , Wen-shin Lu , Yang-hao Chan , Zhenhua Chen , Yaobo Huang , Zhengtai Liu , Peng Chen

We present a theoretical study of diluted magnetic semiconductors that treats the local sp-d exchange interaction J between the itinerant carriers and the Mn d electrons within a realistic band structure and goes beyond previous mean-field…

Materials Science · Physics 2007-05-23 Byounghak Lee , Xavier Cartoixa , Nandini Trivedi , Richard M. Martin

Tuning physical properties of transition metal dichalcogenide (TMD) monolayers by strain engineering have most widely studied, and recently Janus TMD monolayer MoSSe has been synthesized. In this work, we systematically study biaxial strain…

Materials Science · Physics 2018-08-01 San-Dong Guo

When considering transition-metal dichalcogenides (TMDCs) in van der Waals (vdW) heterostructures for periodic ab-initio calculations, usually, lattice mismatch is present, and the TMDC needs to be strained. In this study we provide a…

Mesoscale and Nanoscale Physics · Physics 2019-11-20 Klaus Zollner , Paulo E. Faria Junior , Jaroslav Fabian

The geometric, electronic, magnetic, thermal, and optical properties of transition metal (TM) doped silicene are systematically explored using spin-dependent density functional computation. We find that the TM atoms decrease the buckling…

Mesoscale and Nanoscale Physics · Physics 2021-02-16 Nzar Rauf Abdullah , Mohammad T. Kareem , Hunar Omar Rashid , Andrei Manolescu , Vidar Gudmundsson

We study the electronic and optical properties of strained single-layer SnC in the density functional theory (DFT) and tight-binding models. We extract the hopping parameters tight-binding Hamiltonian for monolayer SnC by considering the…

Mesoscale and Nanoscale Physics · Physics 2017-09-20 Y. Mogulkoc , M. Modarresi , A. Mogulkoc , Y. O. Ciftci , B. Alkan

This article presents a comprehensive computational investigation into chalcogen bonding interactions, focusing specifically on elucidating the role of subvalence (n$-$1)d and (n$-$1)sp correlation. The incorporation of inner-shell (n$-$1)d…

Chemical Physics · Physics 2025-01-17 Nisha Mehta , Jan M. L. Martin

Realizing Majorana bound states in chains of magnetic impurities on $s$-wave superconducting substrates relies on a fine tuning of the energy and hybridization of the single magnetic impurity bound states and of the spin-orbit coupling…

Superconductivity · Physics 2025-04-14 Philip Beck , Lucas Schneider , Roland Wiesendanger , Jens Wiebe

We analyze the origin of spin-orbit coupling (SOC) in fluorinated graphene using Density Functional Theory (DFT) and a tight-binding model for the relevant orbitals. As it turns out, the dominant source of SOC is the atomic spin-orbit of…

Mesoscale and Nanoscale Physics · Physics 2016-03-16 R. M. Guzmán-Arellano , A. D. Hernández-Nieves , C. A. Balseiro , Gonzalo Usaj

Spin-orbit coupling (SOC) is essential in understanding the properties of 5d transition metal compounds, whose SOC value is large and almost comparable to other key parameters. Over the past few years, there have been numerous studies on…

Previous theoretical studies [W. Cho, C. Platt, R. H. McKenzie, and S. Raghu, Phys. Rev. B 92, 134514 (2015); N. Lera and J. V. Alvarez, Phys. Rev. B 92, 174523 (2015)] have suggested that Li$_{0.9}$Mo$_6$O$_{17}$, a quasi-one dimensional…

Superconductivity · Physics 2016-06-29 Christian Platt , Weejee Cho , Ross H. McKenzie , Ronny Thomale , Sri Raghu

We study the optical properties of semiconducting transition metal dichalcogenide monolayers under the influence of strong out-of-plane magnetic fields, using the effective massive Dirac model. We pay attention to the role of spin-orbit…

Mesoscale and Nanoscale Physics · Physics 2019-03-14 G. Catarina , J. Have , J. Fernández-Rossier , N. M. R. Peres

Understanding the effects of spin-orbit coupling (SOC) and many-body interactions on spin transport is important in condensed matter physics and spintronics. This topic has been intensively studied for spin carriers such as electrons but…

Monolayer PtSe$_2$ is a semiconducting transition metal dichalcogenide characterized by an indirect band gap, space inversion symmetry, and high carrier mobility. Strong intrinsic spin-orbit coupling and the possibility to induce extrinsic…

Mesoscale and Nanoscale Physics · Physics 2021-03-10 Marcin Kurpas , Jaroslv Fabian

We show that spin-orbit coupling (SOC) in InSe enables the optical transition across the principal band gap to couple with in-plane polarized light. This transition, enabled by $p_{x,y}\leftrightarrow p_z$ hybridization due to intra-atomic…

Mesoscale and Nanoscale Physics · Physics 2017-11-21 S. J. Magorrian , V. Zólyomi , V. I. Fal'ko

Orthorhombic SrIrO3 subjected to strain show tunable transport properties. With underlying symmetry remaining invariant, these properties are associated with IrO6 octahedral tilting. Adopting to first-principles methods, the effects of…

Materials Science · Physics 2015-09-02 Vijeta Singh , J. J. Pulikkotil

We demonstrate strong anisotropic spin-orbit interaction (SOI) in graphene induced by monolayer WS$_2$. Direct comparison between graphene/monolayer WS$_2$ and graphene/bulk WS$_2$ system in magnetotransport measurements reveals that…

Mesoscale and Nanoscale Physics · Physics 2018-04-12 Taro Wakamura , Francesco Reale , Pawel Palczynski , Sophie Guéron , Cecilia Mattevi , Hélène Bouchiat

We apply the functional path-integral approach to analyze how the presence of a spin-orbit coupling (SOC) affects the basic properties of a BCS-type paired state in a two-component Bose gas. In addition to a mean-field theory that is based…

Quantum Gases · Physics 2020-01-09 M. Iskin

The reduction of the neutron spin-orbit splitting $2p_{3/2} - 2p_{1/2}$ between the $^{41}$Ca and $^{35}$Si isotones is a unique feature throughout the chart of nuclides, as the spin-orbit splitting usually increases with $A$. Moreover, its…

Nuclear Theory · Physics 2020-08-27 O. Sorlin , F. de Oliveira , J. P. Ebran

Spin-orbit coupling (SOC) and electron-electron interaction can mutually influence each other and give rise to a plethora of intriguing phenomena in condensed matter systems. In pristine bilayer graphene, which has weak SOC, intrinsic…

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