Results 11 to 20 of about 198,178 (161)

Probing the Global Delocalization Transition in the de Moura-Lyra Model with the Kernel Polynomial Method [PDF]

EPJ Web of Conferences, 2020
In this paper, we report numerical calculations of the localization length in a non-interacting one-dimensional tight-binding model at zero tem¬perature, holding a correlated disorder model with an algebraic power-spectrum (de Moura-Lyra model).
Khan N.A., Santos Pires J.P., Viana Parente Lopes J.M., Lopes dos Santos J.M.B.   +3 more
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Tight-binding model for iron pnictides [PDF]

Physical Review B, 2009
We propose a five-band tight-binding model for the Fe-As layers of iron pnictides with the hopping amplitudes calculated within the Slater-Koster framework. The band structure found in DFT, including the orbital content of the bands, is well reproduced using only four fitting parameters to determine all the hopping amplitudes. The model allows to study
Calderon, M. J., Valenzuela, B., Bascones, E.   +2 more
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Tight-binding model for semiconductor nanostructures [PDF]

Physical Review B, 2005
An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix elements up to the second nearest neighbors and the spin-orbit coupling are included in our TB-model.
Schulz, Stefan, Czycholl, Gerd
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One-dimensional tight-binding model for electron transport through ferromagnet/insulator/ferromagnet junction in B-field [PDF]

Songklanakarin Journal of Science and Technology (SJST), 2022
We applied a one-dimensional tight-binding model to the study electron transport in a ferromagnetic metal-insulatorferromagnetic metal junction. We included a small external magnetic field perpendicular to the one-dimensional chain as a Zeeman Effect on
Natthagrittha Nakhonthong, Puangratana Pairor   +1 more
doaj   +1 more source

Scalable Tight-Binding Model for Graphene [PDF]

Physical Review Letters, 2015
Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real graphene can be captured by simulations using "theoretical artificial graphene." To prove this, we first derive a ...
Liu, Ming-Hao, Rickhaus, Peter, Makk, Peter, Tovari, Endre, Maurand, Romain, Tkatschenko, Fedor, Weiss, Markus, Schoenenberger, Christian, Richter, Klaus   +8 more
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An atomistic approach for the structural and electronic properties of twisted bilayer graphene-boron nitride heterostructures

npj Computational Materials, 2022
Twisted bilayer graphene (TBG) has taken the spotlight in the condensed matter community since the discovery of correlated phases. In this work, we study heterostructures of TBG and hexagonal boron nitride (hBN) using an atomistic tight-binding model ...
Min Long, Pierre A. Pantaleón, Zhen Zhan, Francisco Guinea, Jose Ángel Silva-Guillén, Shengjun Yuan   +5 more
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The Green’s function for the Hückel (tight binding) model [PDF]

Journal of Mathematical Physics, 2017
Applications of the Hückel (tight binding) model are ubiquitous in quantum chemistry and solid state physics. The matrix representation of this model is isomorphic to an unoriented vertex adjacency matrix of a bipartite graph, which is also the Laplacian matrix plus twice the identity.
Ramis Movassagh, Gilbert Strang, Yuta Tsuji, Roald Hoffmann   +3 more
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Effective-medium tight-binding model for silicon [PDF]

Physical Review B, 1994
A new method for calculating the total energy of Si systems is presented. The method is based on the effective-medium theory concept of a reference system. Instead of calculating the energy of an atom in the system of interest a reference system is introduced where the local surroundings are similar. The energy of the reference system can be calculated
Stokbro, Kurt, Chetty, N., Jacobsen, Karsten Wedel; id_orcid 0000-0002-1121-2979, Nørskov, Jens Kehlet; id_orcid 0000-0002-4427-7728   +3 more
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Quantum transport and localization in 1d and 2d tight-binding lattices

npj Quantum Information, 2022
Particle transport and localization phenomena in condensed-matter systems can be modeled using a tight-binding lattice Hamiltonian. The ideal experimental emulation of such a model utilizes simultaneous, high-fidelity control and readout of each lattice ...
Amir H. Karamlou, Jochen Braumüller, Yariv Yanay, Agustin Di Paolo, Patrick M. Harrington, Bharath Kannan, David Kim, Morten Kjaergaard, Alexander Melville, Sarah Muschinske, Bethany M. Niedzielski, Antti Vepsäläinen, Roni Winik, Jonilyn L. Yoder, Mollie Schwartz, Charles Tahan, Terry P. Orlando, Simon Gustavsson, William D. Oliver   +18 more
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The RESP AI model accelerates the identification of tight-binding antibodies

Nature Communications, 2023
High-affinity antibodies are often identified through directed evolution but deep leaning methods hold great promise. Here the authors report RESP, a pipeline for efficient identification of high affinity antibodies, and apply this to the PD-L1 antibody ...
Jonathan Parkinson, Ryan Hard, Wei Wang
doaj   +1 more source