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Model of electronic band structures of solids
In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set
Tight_binding
Topics referred to by the same term
physics, the tight binding method is a technique used to calculate the electronic band structure of solids. Tight binding may also refer to: Tight adhesion
Tight binding (disambiguation)
Tight_binding_(disambiguation)
Japanese style of consensual rope bondage
Kinbaku (Japanese: 緊縛; 'tight binding'), also called kinbaku-bi (緊縛美; 'the beauty of tight binding'), is a Japanese style of bondage or BDSM which involves
Japanese_bondage
Momentum-dependent division of spin bands in two-dimensional condensed matter systems
framework of the k·p perturbation theory or from the point of view of a tight binding approximation. However, the specifics of these methods are considered
Rashba_effect
Movement of white blood cells out of blood vessels and towards the inflamed site
understood in several steps:[citation needed] Chemoattraction Rolling adhesion Tight adhesion (Endothelial) Transmigration It has been demonstrated that leukocyte
Leukocyte_extravasation
Describes the range of energies of an electron within the solid
the crystal behave much like an assembly of constituent atoms. This tight binding model assumes the solution to the time-independent single electron Schrödinger
Electronic_band_structure
Based Tight Binding method is an approximation to density functional theory, which reduces the Kohn-Sham equations to a form of tight binding related
DFTB
Former Chinese custom
Foot binding (simplified Chinese: 缠足; traditional Chinese: 纏足; pinyin: chánzú), or footbinding, was the Chinese custom of breaking and tightly binding the
Foot_binding
Paradigmatic model
quantum kicked rotor can actually formally be related to the Anderson tight-binding model a celebrated Hamiltonian that describes electrons in a disordered
Kicked_rotator
Simplified model in condensed matter physics
model introduces short-range interactions between electrons to the tight-binding model, which only includes kinetic energy (a "hopping" term) and interactions
Hubbard_model
Glycoprotein found in the saliva of vampire bats
detectable lag phases in assays, supports the conclusion that Draculin is a tight-binding inhibitor. In addition, Draculin inhibits the conversion of prothrombin
Draculin
Jargon and esoteric terms used in BDSM
"tight binding.". Kinbaku is a Japanese style of bondage which combines elegant simplicity and intricate patterns into Kinbaku-bi ("beauty of tight binding
Glossary_of_BDSM
Simple model of topological insulator
based on the existence of solitonic defects. It is a quantum mechanical tight binding approach, that describes the hopping of spinless electrons in a chain
Su–Schrieffer–Heeger_model
Carbon allotrope
and electronic properties from quantization. Calculations based on tight binding theory predict that zigzag GNRs are always metallic while armchairs
Graphene_nanoribbon
Molecule that blocks enzyme activity
Duggleby RG (1995). "[6] Kinetics of slow and tight-binding inhibitors". Kinetics of slow and tight-binding inhibitors. Methods in Enzymology. Vol. 249
Enzyme_inhibitor
Topics referred to by the same term
identifier: XTB; See Vehicle identification number) GFNn-xTB, a series of tight-binding semi-empirical quantum chemistry methods XTB-1, a Boeing TB (or Model
XTB
Person who ties in Japanese rope bondage
but in SM circles in means "rope artist" kinbakushi (緊縛師): (noun) tight binding (bondage) master bakushi (縛師): (noun) abbreviated form of kinbakushi
Nawashi
Hexagonal lattice made of carbon atoms
to calculate the band structure for a single graphite layer using a tight-binding approximation. Electrons propagating through the graphene honeycomb
Graphene
Density Functional Theory programs for building tight binding models. The Density Functional Tight Binding program can be applied to systems with periodic
PLATO (computational chemistry)
PLATO_(computational_chemistry)
Concept in condensed matter physics
insulator Bi2Se3. The formation of chiral OAM can be demonstrated with a tight-binding Hamiltonian of electrons with p x {\displaystyle p_{x}} , p y {\displaystyle
Orbital_Rashba_effect
Method in quantum chemistry
and MRCI is an important tool for excited state molecular dynamics. Tight-binding methods, e.g. a large family of methods known as DFTB, are sometimes
Semi-empirical quantum chemistry method
Semi-empirical_quantum_chemistry_method
Reaction that combines atomic nuclei
side of the curve of binding energy. It also makes helium 4 He the most common product because of its extraordinarily tight binding, although 3 He and 3
Nuclear_fusion
Electronic states at the surface of materials
that are calculated in the framework of a tight-binding model are often called Tamm states. In the tight binding approach, the electronic wave functions
Surface_states
Electronic structure method
translation operators, which form the kinetic part of the Hamiltonian in the tight-binding framework, are simply T x = | m + 1 , n ⟩ ⟨ m , n | e i θ m , n x ,
Peierls_substitution
potential, the Finnis–Sinclair potentials, ReaxFF, and the second-moment tight-binding potentials. They have the advantage over conventional molecular mechanics
Bond_order_potential
Absence of diffusion waves in disordered media
strong mutual Coulomb repulsion of electrons. In the original Anderson tight-binding model, the evolution of the wave function ψ on the d-dimensional lattice
Anderson_localization
Topics referred to by the same term
or unfolded sheets of paper or other material Foot binding, the custom of applying tight binding to the feet of young girls to prevent further growth
Bind
2011 video game
The Binding of Isaac is a 2011 roguelike action-adventure game designed by independent developers Edmund McMillen and Florian Himsl. It was initially
The Binding of Isaac (video game)
The_Binding_of_Isaac_(video_game)
Magnetic effect in insulators between ferromagnets
(modeled as semi-infinite tight-binding chain with non-zero Zeeman splitting) and the right N electrode (semi-infinite tight-binding chain without any Zeeman
Tunnel_magnetoresistance
self-consistent manner in which the density is changed. Many density-functional tight-binding methods, such as CP2K, DFTB+, Fireball, and Hotbit, are built based
Harris_functional
group is responsible for additional polar interactions that causes tighter binding to the HMGR enzyme. Statins that belong to this group are: Fluvastatin
Discovery and development of statins
Discovery_and_development_of_statins
Hardware extension for ARM processors
to (or is allowed to) depend on the hardware interface details. This tight binding facilitates the hardware and JVM evolving together without affecting
Jazelle
American physicist of quantum computing (1930–2022)
"Tight binding Hamiltonians and Quantum Turing Machines", Phys. Rev. Lett., Vol. 78, 1997, pp. 590–593. "Transmission and spectral aspects of tight binding
Paul_Benioff
Physical model of solid metals as electron gases
nuclear charge. Empty lattice approximation Electronic band structure Tight binding model Bloch's theorem Kronig–Penney model Wikimedia Commons has media
Nearly_free_electron_model
Reinhard; Beltram, Fabio; Bassani, Franco (1998). "Empirical spds* tight-binding calculation for cubic semiconductors: General method and material parameters"
Fabio_Beltram
Electrical insulators that are conventionally expected to be conductors
electrons between neighboring atoms (the transfer integral is a part of the tight binding approximation). The total energy gap is then Egap = U − 2zt, where z
Mott_insulator
Any molecule with a cyano group (C≡N)
pigment Prussian blue, which are both essentially nontoxic due to the tight binding of the cyanides to a central iron atom. Prussian blue was first accidentally
Cyanide
lithium, beryllium, and boron isotopes, is favored due to the extremely tight binding of the helium-4 nucleus. Beryllium is prevented from having a stable
Isotopes_of_beryllium
Physical function
derivatives in the k-space. This approach is similar in spirit to the tight binding approximation, but in contrast allows for an exact description of bands
Wannier_function
Quantum chemistry and physics software
many-body potentials, semi-empirical (AM1, PM3, MNDO, MNDOd, PM6) and tight-binding Hamiltonians, as well as Quantum Mechanics/Molecular Mechanics (QM/MM)
CP2K
Attractive interaction between two molecules
Non-covalent interactions can effectively become irreversible; for example, tight binding inhibitors of enzymes can have kinetics that closely resemble irreversible
Molecular_binding
Chemical compound
years later, in 2016, studying the pyrolysis of hypercubane by means of tight-binding molecular dynamics simulations, Maslov and Katin demonstrated that hypercubane
Hypercubane
Flattening breasts with undergarments
wearing the traditional hanbok concealed the female body by binding their breasts tightly with a cloth band. In Japan, the traditional kimono flattens
Breast_binding
Electrical wire where quantum effects influence transport properties
Band structures computed using tight binding approximation for (6,0) CNT (zigzag, metallic), (10,2) CNT (semiconducting) and (10,10) CNT (armchair, metallic)
Quantum_wire
Model for topological superconductors in physics
computers. The model was first proposed by Alexei Kitaev in 2000. The tight binding Hamiltonian of a Kitaev chain considers a one dimensional lattice with
Kitaev_chain
Computational quantum mechanical modelling method to investigate electronic structure
in the chemical binding of atoms; they also partially screen the nucleus, thus forming with the nucleus an almost inert core. Binding properties are almost
Density_functional_theory
Concept in physics
potential. They further mapped this into a lattice model and came up with a tight-binding model with asymmetric hopping, which is now widely called the Hatano-Nelson
Non-Hermitian quantum mechanics
Non-Hermitian_quantum_mechanics
Special state of wave and quantum systems in physics
normalizable and the corresponding potential is selected for it. In the tight binding approximation, the jump rates are modified so that the state becomes
Bound_state_in_the_continuum
Highly specific protease
completely covers the substrate to create a binding tunnel. This tunnel contains a set of tight binding pockets such that each side chain of the substrate
TEV_protease
Protein found in humans
Stevenson BR (Dec 1999). "Protein interactions at the tight junction. Actin has multiple binding partners, and ZO-1 forms independent complexes with ZO-2
Tight_junction_protein_ZO-1
Protein domain
membrane, allowing surface exposure and intimin binding. Tir-intimin interaction mediates tight binding of enteropathogenic and enterohaemorrhagic E.coli
Intimin
Compound inhibiting the activity of renin
subpocket can increase potency by 50-fold and results in tight binding. Example of binding to the renin inhibitor: Aliskiren is a peptide-like renin
Renin_inhibitor
Chemical compound
fibrinogen into fibrin. The mechanism of action of nafamostat is as a slow tight-binding substrate, trapping the target protein in the acyl-enzyme intermediate
Nafamostat
Describes energy between atoms
electron density. The EAM is related to the second moment approximation to tight binding theory, also known as the Finnis-Sinclair model. These models are particularly
Embedded_atom_model
Minimum energy required to separate particles within a nucleus
However, nickel-62 is the most tightly bound nucleus in terms of binding energy per nucleon. (Nickel-62's higher binding energy does not translate to a
Nuclear_binding_energy
Computer simulations to discover and understand chemical properties
Other examples are the embedded-atom method (EAM), the EDIP, and the Tight-Binding Second Moment Approximation (TBSMA) potentials, where the electron density
Molecular_dynamics
Atomic model
a basis set. LCAO and MO calculations in computational chemistry or tight binding calculations in solid-state physics use cubic harmonics as an atomic
Cubic_harmonic
Chemical element with atomic number 2 (He)
that nuclear binding was possible, almost all first compound atomic nuclei to form were helium-4 nuclei. Owing to the relatively tight binding of helium-4
Helium
Structure preventing inter-cell leakage
extracellular region and one PDZ-binding motif at the carboxy-terminus. They are responsible for establishment of tricellular tight junctions and regulate the
Tight_junction
enables multi-million atom electronic structure simulations in empirical tight binding; open source; an educational version is on nanoHUB and Quantum Dot Lab
List of software for nanostructures modeling
List_of_software_for_nanostructures_modeling
Technique in quantum chemistry
chemistry computer programs Hartree–Fock method Basis set (chemistry) Tight binding Holstein–Herring method LCAO @ chemistry.umeche.maine.edu Link Huheey
Linear combination of atomic orbitals
Linear_combination_of_atomic_orbitals
Antiretroviral medication
pseudo-C2-symmetric peptidomimetic inhibitor of the HIV-1 protease. It acts as a tight-binding, active-site titrant with an inhibition constant (Ki) of 15 pM. At a
Ritonavir
Phenomenon from solid state physics
relation for the given energy band. Suppose that the latter has the (tight-binding) form E ( k ) = A cos a k , {\displaystyle {\mathcal {E}}(k)=A\cos
Bloch_oscillation
can be run at different levels of precision ranging from ab initio tight binding up to full DFT with plane wave accuracy. It has been applied to the
CONQUEST
Medications based on ribonucleic acids
selective binding ability of aptamers, they are considered a promising biomolecule for use in pharmaceuticals. Additionally, aptamers exhibit tight binding to
RNA_therapeutics
Model of interacting spinless bosons on a lattice
amplitude, and μ {\displaystyle \mu } is the chemical potential. The tight binding approximation results in the substitution ψ ^ ( r → ) = ∑ i w i α (
Bose–Hubbard_model
Field-effect transistor made from carbon nanotubes
predominately on their diameters. In fact, according to a single-particle tight-binding description of the electronic structure of these nanotubes E g = 2 |
Carbon nanotube field-effect transistor
Carbon_nanotube_field-effect_transistor
Human glycoprotein that binds to androgens and estrogens
Sex hormone-binding globulin (SHBG) or sex steroid-binding globulin (SSBG) is a glycoprotein that binds to androgens and estrogens. When produced by the
Sex_hormone–binding_globulin
Process of formation of blood clots
results in activation of platelet integrins. Activated integrins mediate tight binding of platelets to the extracellular matrix. This process adheres platelets
Coagulation
Quantum-mechanical framework for simulating molecules and solids
augmented wave method Electronic band structure Nearly free electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation
Görling–Levy perturbation theory
Görling–Levy_perturbation_theory
Class of enzymes
subunits and carry out rotary catalysis. The reaction cycle involves tight binding of ATP but proceeds without formation of a covalent phosphorylated intermediate
Proton_ATPase
Chemical compound which is reduced and oxidized
R, Whitty A, Tonge PJ (2003). "The isoniazid-NAD adduct is a slow, tight-binding inhibitor of InhA, the Mycobacterium tuberculosis enoyl reductase: Adduct
Nicotinamide adenine dinucleotide
Nicotinamide_adenine_dinucleotide
Functions for calculating potential energy
same functional form but motivate the terms differently, e.g. based on tight-binding theory or other motivations. EAM-like potentials are usually implemented
Interatomic_potential
American physicist (1951–2020)
The method has been generalized and extended into a number of DFT tight binding approaches and was a forerunner to the SIESTA program, particularly
Otto_F._Sankey
Sequence of DNA that determines traits in an organism
regulation is the blocking or sequestering the promoter region, either by tight binding by repressor molecules that physically block the polymerase or by organizing
Gene
Types of energy range in a solid where no electron states can exist
Bulk band structure for Si, Ge, GaAs and InAs generated with tight binding model. Note that Si and Ge are indirect band gap with minima at X and L, while
Direct_and_indirect_band_gaps
Rights claimed for women and girls worldwide
restrict women's freedom of movement, such as foot binding, the custom of applying painfully tight binding to the feet of young Chinese girls, which was common
Women's_rights
Cuban-Spanish scientist
years he has developed mathematical approaches for the Hückel method or tight binding model, such as for "graph energy", "density matrix", "quantum molecular
Ernesto_Estrada_(scientist)
Allotropes of carbon with a cylindrical nanostructure
the Zone-Folding Method WOLFRAM Demonstrations Project: Electronic Structure of a Single-Walled Carbon Nanotube in Tight-Binding Wannier Representation
Carbon_nanotube
Fractal describing electrons in a magnetic field
field restricted to a single Bloch band. For a 2D square lattice, the tight binding energy dispersion relation is W ( k ) = E 0 ( cos k x a + cos k
Hofstadter's_butterfly
Electrical behaviour of layered materials
September 2010). "Flat bands in slightly twisted bilayer graphene: Tight-binding calculations". Physical Review B. 82 (12) 121407. arXiv:1012.4320. Bibcode:2010PhRvB
Twistronics
Quantum chemistry method extending valence bond theory
augmented wave method Electronic band structure Nearly free electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation
Generalized_valence_bond
American fitness and nutrition guru and motivational speaker (1914–2011)
nor shackled if each of those terms has the conventional meaning of "tightly binding the wrists or ankles together with a pair of metal fasteners". Hager
Jack_LaLanne
Pyroxene, inosilicate mineral rich in lithium
Extraction of lithium from spodumene, often SC6, is challenging due to the tight binding of lithium in the crystal structure. Traditional lithium refining in
Spodumene
code, the Quantum ESPRESSO plane wave code, a density-functional based tight binding (DFTB) module, a reactive force field module ReaxFF, and an implementation
Amsterdam_Density_Functional
Indian-American physicist (born 1953)
2011 Das Sarma and collaborators introduced a new class of lattice tight-binding flat-band systems with nontrivial Chern numbers which belongs to the
Sankar_Das_Sarma
Polish-Taiwanese chemist
derivatives of energy for the self-consistent-charge density-functional tight-binding method", J. Chem. Phys. 121, 5163 (2004). Su YT, Huang YH, Witek HA
Henryk_Witek
German physicist
OCLC 50434660. S. Reich; J. Maultzsch; C. Thomsen; P. Ordejón (19 July 2002). "Tight-binding description of graphene". Physical Review B. 66 (3). Bibcode:2002PhRvB
Janina_Maultzsch
Fundamental theorem in condensed matter physics
model Periodic boundary conditions Symmetries in quantum mechanics Tight-binding model Wannier function Bloch, F. (1929). Über die quantenmechanik der
Bloch's_theorem
Antipsychotic medication
family receptors, with 70-fold selectivity for the D2 family. It has "tight binding" properties, which means it has a long half-life. Like other antipsychotics
Risperidone
Drug discovery and development
group can bind to the imidate complex with covalent bonds and slow, tight-binding kinetics but this group is also responsible for stability issues due
Discovery and development of dipeptidyl peptidase-4 inhibitors
Discovery_and_development_of_dipeptidyl_peptidase-4_inhibitors
through the tight junction. Some submembrane proteins are involved in the cell signaling and gene expression due to their specific binding to the transcription
Tight_junction_proteins
Interaction between electrons, often complicating physical calculations
to a metal-insulator transition. The Hubbard model is based on the tight-binding approximation, and can explain conductor-insulator transitions in Mott
Electronic_correlation
Quantization of cyclotron orbits
physical phenomenon is known as the De Haas–Van Alphen effect. The tight binding energy spectrum of charged particles in a two dimensional infinite lattice
Landau_levels
German-American scientist (born 1967)
simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation". Journal of Computational Chemistry
Stephan_Irle
Indian scientist
effect in III-V and II-VI semiconducting nanocrystals using a realistic tight binding approach". Physical Review B. 72 (4) 045333. arXiv:cond-mat/0505451
Tanusri_Saha-Dasgupta
Graph of enzyme kinetics
"Evaluation of methods for estimating the dissociation constant of tight binding enzyme inhibitors". The Journal of Biological Chemistry. 254 (23): 12104–12109
Lineweaver–Burk_plot
Active region of an enzyme
predict a high efficiency of methylglucoside glycosyl transfer due to its tight binding. Apart from competitive inhibition, this theory cannot explain the mechanism
Active_site
Probabilistic algorithms to simulate quantum many-body systems
augmented wave method Electronic band structure Nearly free electron model Tight binding Muffin-tin approximation k·p perturbation theory Empty lattice approximation
Quantum_Monte_Carlo
Electronic structure imaging method
{\displaystyle \epsilon _{\mathbf {k} }} are typically obtained from a tight-binding model. The full Green's function of the host in presence of a defect
Quasiparticle interference imaging
Quasiparticle_interference_imaging
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