Electron transport in disordered systems: A nonequilibrium quantum-molecular-dynamics approach

Journal Article · Wed May 01 04:00:00 EDT 1991 · Physical Review, B: Condensed Matter; (USA)

DOI:https://doi.org/10.1103/PhysRevB.43.10928· OSTI ID:5662274

Nakano, A ^[1]; Vashishta, P; Kalia, R K ^[2]

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1. Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (USA)
2. Concurrent Computing Laboratory for Materials Simulations, and Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803-4001 (USA)

For mixed systems of quantum and classical particles, a simulation approach is developed to calculate the transport coefficients of quantum particles. Simulating the real-time evolution by quantum molecular dynamics, the response is obtained by applying a subtraction technique to the motion of quantum particles at zero and finite fields. This approach is efficient and yields a good signal-to-noise ratio. Using an excess-electron-in-helium gas as a test system, the mobility of the electron is calculated at a finite temperature and the results are found to be in good agreement with experiments.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 5662274
• Journal Information: Physical Review, B: Condensed Matter; (USA), Journal Name: Physical Review, B: Condensed Matter; (USA) Vol. 43:13; ISSN 0163-1829; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CLASSICAL MECHANICS
DISPERSIONS
ELECTRON MOBILITY
ELECTRONS
ELEMENTARY PARTICLES
FERMIONS
LEPTONS
MECHANICS
MIXTURES
MOBILITY
PARTICLE MOBILITY
QUANTUM MECHANICS
SIMULATION
TRANSPORT THEORY