Kubo-Greenwood formula for conductivity

E645104

The Kubo-Greenwood formula for conductivity is a quantum-mechanical expression that relates a material’s electrical conductivity to its electronic states and transition probabilities, widely used to compute transport properties from first-principles calculations.

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Kubo-Greenwood formula for conductivity canonical 1

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Predicate Object
instanceOf electrical conductivity formula ⓘ
linear response theory result ⓘ
theoretical physics concept ⓘ
transport theory formula ⓘ
appliesTo disordered materials ⓘ
insulators ⓘ
metals ⓘ
semiconductors ⓘ
solids ⓘ
assumes single-particle electronic states in many applications ⓘ
basedOn linear response theory ⓘ
quantum mechanics ⓘ
canBeGeneralizedTo disordered and amorphous systems ⓘ
finite temperature ⓘ
characterizes linear response of current to an applied electric field ⓘ
dependsOn electronic band structure ⓘ
scattering processes encoded in state lifetimes ⓘ
derivedFrom Kubo formula ⓘ
describes dc conductivity in the zero-frequency limit ⓘ
frequency-dependent conductivity ⓘ
expressedAs sum over initial and final electronic states of squared velocity matrix elements weighted by occupation differences and energy-conserving delta functions ⓘ
field condensed matter physics ⓘ
materials science ⓘ
quantum transport theory ⓘ
solid-state physics ⓘ
involves Fermi-Dirac occupation factors ⓘ
delta functions enforcing energy conservation ⓘ
energy eigenvalues ⓘ
matrix elements of the velocity operator ⓘ
sum over electronic states ⓘ
namedAfter David A. Greenwood ⓘ
Ryogo Kubo ⓘ
relatedTo Boltzmann transport equation ⓘ
linked to: Boltzmann equation

Green-Kubo relations ⓘ
relates electrical conductivity ⓘ
electronic states ⓘ
transition probabilities ⓘ
usedBy computational materials scientists ⓘ
condensed matter physicists ⓘ
usedFor ab initio transport simulations ⓘ
calculation of electrical conductivity from first principles ⓘ
calculation of optical conductivity ⓘ
calculation of transport coefficients ⓘ
usedIn density functional theory calculations ⓘ
electronic structure calculations ⓘ
molecular dynamics based transport studies ⓘ

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Kubo formula → usedIn → Kubo-Greenwood formula for conductivity ⓘ