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    Curiosity Killed The Cat: 3.012 Fund of Mat Sci: Bonding - Lecture 4

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    The document discusses quantum mechanics and materials science concepts such as the particle in a box model, absorption lines, scanning tunneling microscopy, wavepacket tunneling through nanotubes, Dirac notation, operators and operator algebra, and the postulates of quantum mechanics including the uncertainty principle and wave-particle duality.

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    Curiosity Killed The Cat: 3.012 Fund of Mat Sci: Bonding - Lecture 4

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    Farooq Muhammad
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    The document discusses quantum mechanics and materials science concepts such as the particle in a box model, absorption lines, scanning tunneling microscopy, wavepacket tunneling through nanotubes, Dirac notation, operators and operator algebra, and the postulates of quantum mechanics including the uncertainty principle and wave-particle duality.

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    The document discusses quantum mechanics and materials science concepts such as the particle in a box model, absorption lines, scanning tunneling microscopy, wavepacket tunneling through nanotubes, Dirac notation, operators and operator algebra, and the postulates of quantum mechanics including the uncertainty principle and wave-particle duality.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    66 views24 pages

    Curiosity Killed The Cat: 3.012 Fund of Mat Sci: Bonding - Lecture 4

    Uploaded by

    Farooq Muhammad
    The document discusses quantum mechanics and materials science concepts such as the particle in a box model, absorption lines, scanning tunneling microscopy, wavepacket tunneling through nanotubes, Dirac notation, operators and operator algebra, and the postulates of quantum mechanics including the uncertainty principle and wave-particle duality.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PDF, TXT or read online from Scribd
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    of 24

    3.

    012 Fund of Mat Sci: Bonding Lecture 4

    CURIOSITY KILLED THE CAT

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Specific Heat of Graphite (Dulong and Petit)


    2500 2000 CP (J.K-1.kg-1) 1500 1000 500 0 0 500 1000 1500 2000 2500

    Temperature (K)

    Figure by MIT OCW.

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Last Time
    Expectation values of the energy in an infinite well (particle-in-a-box) Absorption lines (linear conjugated molecules) Particles in 3-dim box (quantum dots, Farbe defects)

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Homework for Fri 23


    Study: 14.1, 14.2, 14.3 Read: 14.4

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Metal Surfaces (I)


    h2 d 2 + V ( x) ( x) = E ( x) 2 2m dx

    V(x)

    V0

    x
    Figure by MIT OCW.

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Metal Surfaces (II)


    (y) 1 0.5 -15 -10 -5 0 -0.5 -1 5 y

    Figure by MIT OCW.

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Scanning Tunnelling Microscopy


    Piezodrive Feedback Loop
    +

    Constant-Current Contour Probe Tip

    Sample Figure by MIT OCW.

    Tip Sample Ef Ef - eV s I/V e-2Ks K=

    ( (

    . -1 2m = 1.1 A h2

    1/2

    = density of states
    Figure by MIT OCW.

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Wavepacket tunnelling through a nanotube

    Images removed for copyright reasons. See http://www.mfa.kfki.hu/int/nano/online/kirchberg2001/index.html

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Dirac Notation
    Eigenvalue equation:
    =a A i i i

    i j = ij

    Expectation values:
    i H i
    2 r r r r h * 2 = i H i = i ( r ) + V (r ) i (r ) dr = Ei 2m

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Operators and operator algebra


    Examples: derivative, multiplicative

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Product of operators, and commutators


    B A

    , B A

    [ ]

    d x, = 1 dx
    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Linear and Hermitian

    [ + ] = A + A A

    = A A

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Examples: (d/dx) and i(d/dx)

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    First postulate
    All information of an ensemble of identical physical systems is contained in the wavefunction (x,y,z,t), which is complex, continuous, finite, and singler valued; square-integrable. ( i.e. 2 dr is finite )

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Second Postulate
    For every physical observable there is a corresponding Hermitian operator

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Hermitian Operators
    1. The eigenvalues of a Hermitian operator are real

    2.

    Two eigenfunctions corresponding to different eigenvalues are orthogonal

    3.

    The set of eigenfunctions of a Hermitian operator is complete Commuting Hermitian operators have a set of common eigenfunctions
    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    4.

    The set of eigenfunctions of a Hermitian operator is complete

    Figure by MIT OCW.

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Position and probability


    Graph of the probability density for positions of a particle in a one-dimensional hard box removed for copyright reasons. See Mortimer, R. G. Physical Chemistry. 2nd ed. San Diego, CA: Elsevier, 2000, p. 554, figure 15.2. Graphs of the probability density for positions of a particle in a one-dimensional hard box according to classical mechanics removed for copyright reasons. See Mortimer, R. G. Physical Chemistry. 2nd ed. San Diego, CA: Elsevier, 2000, p. 555, figure 15.3.

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Commuting Hermitian operators have a set of common eigenfunctions

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Fourth Postulate
    If a series of measurements is made of the dynamical variable A on an ensemble described by , the average A (expectation) value is A =

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Quantum double-slit

    Source: Wikipedia
    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Quantum double-slit

    Image of the double-slit experiment removed for copyright reasons. See the simulation at http://www.kfunigraz.ac.at/imawww/vqm/movies.html: "Samples from Visual Quantum Mechanics": "Double-slit Experiment."

    Above: Thomas Young's sketch of two-slit diffraction of light. Narrow slits at A and B act as sources, and waves interfering in various phases are shown at C, D, E, and F. Source: Wikipedia

    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Deterministic vs. stochastic


    Classical, macroscopic objects: we have welldefined values for all dynamical variables at every instant (position, momentum, kinetic energy) Quantum objects: we have well-defined probabilities of measuring a certain value for a dynamical variable, when a large number of identical, independent, identically prepared physical systems are subject to a measurement.
    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

    Top Three List


    Albert Einstein: Gott wurfelt nicht! [God does not play dice!] Werner Heisenberg I myself . . . only came to believe in the uncertainty relations after many pangs of conscience. . . Erwin Schrdinger: Had I known that we were not going to get rid of this damned quantum jumping, I never would have involved myself in this business!
    3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)

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