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  1. Atomic Physics Pham Tan Thi, Ph.D. Department of Biomedical Engineering Faculty of Applied Sciences Ho Chi Minh University of Technology
  2. History of Atomic Model
  3. History of Atomic Model • Proposed an Atomic Theory which states that all atoms are small, hard, indivisible and indestructible particles made of a single material formed into different shapes and sizes. • Aristotle did not support his atomic theory. Democritus (460 BC - 370 BC)
  4. History of Atomic Model • Known as the “Father of Modern Chemistry” • Was the first person to generate a list of 23 elements in his textbook • Devised the metric systems • Was married to a 13-year-old Marie-Anne Pierette Paulze, who assisted him much of his work • Discovered/proposed that combustion occurs when oxygen combines with other elements Antoine Lavoisier (1743 - 1794) • Discovered/proposed the Law of Conservation of Mass (or Matter) which states that, in a chemical reaction, matter is neither created or destroyed
  5. History of Atomic Model • In 1803, he proposed an Atomic Theory which states that: • All substances are made of atoms; atoms are small particles that cannot be created, divided or destroyed. • Atoms of the same element are exactly alike, and atoms of different elements are different • Atoms join with other atoms to make new John Dalton substances (1766 - 1844) • He calculated the atomic weights of many various elements • He was a teacher at a very young age • He was color blind
  6. History of Atomic Model J. J. Thomson (1856 - 1940) • He proved that an atom can be divided into smaller parts • While experimenting with cathode-ray tubes, discovered corpuscles, which were later called electrons • He stated that the atom is neutral
  7. History of Atomic Model J. J. Thomson (1856 - 1940) • He proved that an atom can be divided into smaller parts • While experimenting with cathode-ray tubes, discovered corpuscles, which were later called electrons • He stated that the atom is neutral • In 1897, he proposed Plum Pudding Model which states that atoms mostly consist of positively charged material with negatively charged particles (electrons) located throughout the positive material • He won the Nobel Prize
  8. History of Atomic Model Ernest Rutherford (1871 - 1937) • In 1909, he performed Gold Foil Experiment and suggested the characteristics of the atom: • It consists of a small core, or nucleus, that contains most of the mass of the atom • This nucleus is made up of particles called protons, which have a positive charge • The protons are surrounded by negative charged electrons, but most of atom is actually empty space • He did extensive work on radioactivity (alpha, beta particles, gamma rays/waves) and was referred as the “Father of Nuclear Physics” • He won the Nobel Prize • He was a student of J.J. Thomson
  9. History of Atomic Model Niels Bohr (1885 - 1962) • In 1913, he proposed the Bohr Model, which suggests that electrons travel around the nucleus of an atom in orbits for definite paths. Additionally, the electron can jump from a path in one level to a path in another level (depending on their energy) • He won the Nobel Prize • He used to work with Ernest Rutherford
  10. History of Atomic Model Erwin Schrodinger (1887 - 1961) • In 1913, he further explained the nature of electrons in an atom by stating that the exact location of an electron cannot be stated; therefore it is more accurate to view electrons in region called electron clouds. • Electron clouds are places where the electrons are likely to be found • He did extensive work on the Wave formula ➔ Schrodinger equation. • He won the Nobel Prize
  11. History of Atomic Model James Chadwick (1891 - 1974) • In 1932, he realized that the atomic mass of most elements was double the number of protons —> discovery of the neutron • He used to work with Ernest Rutherford • He won the Nobel Prize
  12. Quantum Mechanical Atomic Theory
  13. Schrödinger Equation in Three Dimensions • Electrons in an atom can move in all three dimensions of space. If a particle of mass m moves in the presence of a potential energy function U(x,y,z), the Schrödinger equation for the particle’s wave function ψ(x,y,z) is ✓ ◆ ~ 2 @ 2 (x, y, z) @ 2 2 (x, y, z) @ (x, y, z) 2 + 2 + 2m @x @y @z 2 +U (x, y, z) (x, y, z) = E (x, y, z)  ~ 2 r + U (x, y, z) (x, y, z) = E (x, y, z) 2m • This is a direct extension of the one-dimensional Schrödinger equation ~2 @ 2 (x) 2 + U (x) (x) = E (x) 2m @x
  14. 41.1 A particle is confined in a cubical 41.2 Particle in a Three-Dimensional Box Particle inConsider a Three-Dimensional box with walls at x = 0, x = L, y = 0, y = L, z = 0, and z = L. a particle enclosed within a cubical box of sideBox L. This could represent an electron that’s free to move anywhere within the interior of a solid metal cube z but cannot escape the cube. We’ll choose the origin to be at one corner of the box, z5L with• the In x-,analogy y-, and z-axes with along our infinite edges of square the box. Then potential the particle is confined to (U(x) the region 0 …=x 0 , 0 … y … U(x) … Linside, L, 0 … z=…∞ outside), L (Fig. 41.1). Whatlet usstation- are the ary states of this system? Asconsider for the particleainthree-dimensional a one-dimensional box that we region considered space in Section 40.2, (box) we’ll say of that equal sides the potential ofzero energy is inside theL, length boxwith theoutside. but infinite same Hence the spatial wave function c1x, y, z2 must be zero outside the box in order x5L potential that the z2c1x, y, z2 in = term U1x, y, (U(x,y,z) the0 inside, U(x,y,z) time-independent Schrödinger=equation, ∞ x O Eq. (41.5), not be infinite. Hence the probability distribution function ƒ c1x, y, z2 ƒ 2 y5L y outside). is zero outside the box, and there is zero probability that the particle will be found • We will consider the wave function as separable, that is can be written as a product of the three independent dimensions x, y and z: (x, y, z) = X(x)Y (y)Z(z) • The Schrödinger equation inside the box becomes  ~2 @ 2 X(x) @ 2 Y (y) @ 2 Z(z) Y (y)Z(z) + Z(z)X(x) + X(x)Y (y) = EX(x)Y (y)Z(z) 2m @x2 @y 2 @z 2 • OR dividing by X(x)Y(y)Z(z), we have:  ~ 2 1 @ 2 X(x) 1 @ 2 Y (y) 1 @ 2 Z(z) 2 + 2 + 2 =E 2m X(x) @x Y (y) @y Z(z) @z
  15. Particle in a Three-Dimensional Box • This says that the total energy is contributed by three terms on the left, each depending separately on x, y and z. Let us write E = Ex + Ey + Ez. Then this equation can be separated into three equations: ~2 @ 2 X(x) ~2 @ 2 Y (y) ~2 @ 2 Z(z) = Ex X(x) 2 = Ey Y (y) = Ez Z(z) 2m @x2 2m @y 2m @z 2 • These obviously have the same solutions separately as our original particle in an infinite square well, and corresponding energies ⇣ n ⇡x ⌘ x n2x ⇡ 2 h2 Xnx = Cx sin Ex = (nx = 1,2,3,…) L 2mL2 ⇣ n ⇡y ⌘ y n2y ⇡ 2 h2 Xny = Cy sin Ey = (ny = 1,2,3,…) L 2mL 2 ⇣ n ⇡z ⌘ z n2z ⇡ 2 h2 Xnz = Cz sin Ez = (nz = 1,2,3,…) L 2mL2
  16. Particle in a Three-Dimensional Box • A particle’s wave function is the product of these three solutions: ⇣ n ⇡x ⌘ ⇣ n ⇡y ⌘ ⇣ n ⇡z ⌘ x y z (x, y, z) = X(x)Y (y)Z(z) = Csin sin sin L L L • We can use the three quantum numbers nx, ny and nz to label the stationary states (state of definite energy). Here is an example of a particle in three possible states (nx, ny, nz) = (2, 1, 1); (1, 2, 1) or (1, 1, 2) • The three states shown here are degenerate: although they have different values of nx, ny, nz, they have the same total energy E: 41.2 Particle in a Three-Dimensional Box 1369 2 2 2 2 2 2 2 2 41.2E 4⇡ h ⇡ h ⇡ h 3⇡ hThe value 2 = Ex to+the density Probability of ƒ c ƒ is proportional Ey + distribution function ƒ Ez = c 1x, nX,nY,nZ of dots. The y, z2 ƒ 2 for 1n , nX+ , nY2 equal Z to (a) wave function is2zero on the walls of2 (2,+1, 1), (b) (1, 2, 1), 2 the box and on the midplane = of the box,2so and (c) (1, 1, 2). 2 ƒ c ƒ = 0 at these locations. 2mL 2mL 2mL mL (a) !c2, 1, 1!2 z (b) !c1, 2, 1!2 z (c) !c1, 1, 2!2 z x x x y y y spots” where there is zero probability of finding the particle. As an example, con-
  17. Energy Degeneracy • For a particle in a three-dimensional box, the allowed energy levels are surprisingly complex. To find them, just count up the different possible states. 41.2 Partic • Here are the first six states for an equal-side box: E 4 in 3⇡ 2 h2 (3, 2, 1), (3, 1, 2), (1, 3, 2), 6-fold degenerate 14 E1, 1, 1 la E1,1,1 = (2, 3, 1), (1, 2, 3), (2, 1, 3) 3 o 2mL2 (2, 2, 2) not degenerate 4E1, 1, 1 S 3-fold degenerate 11 th (3, 1, 1), (1, 3, 1), (1, 1, 3) 3 E1, 1, 1 lo 3-fold degenerate 1 (2, 2, 1), (2, 1, 2), (1, 2, 2) 3E1, 1, 1 1 s • If the length of sides of m box are different: (2, 1, 1), (1, 2, 1), (1, 1, 2) 3-fold degenerate 2E1, 1, 1 ! 2 2 nx ny n z ⇡ 2 h2 2 not degenerate E= 2 + 2 + 2 (1, 1, 1) E1, 1, 1 Lx Ly Lz 2m (break the degeneracy) E50 Since degeneracy is a consequence of symmetry, we can remove the degener- acy by making the box asymmetric. We do this by giving the three sides of the
  18. 41.5 The Schrödinger equation for the The hydro Hydrogen Atom hydrogen atom can be solved most readily using spherical coordinates. 1r, u, f2, tion depen • For hydrogen atom, the three-dimensional potential z Electron, charge 2e, potential-e energy depends only on the electron’s distance from at coordinates (r, u, f) of familiar important f the proton: 1 e2 First, w U (r) = that we em 4⇡"0 r wave funct • As before, we will seek separable wave functions, only one o but this time, due to the spherical symmetry we Nucleus, r charge 1e, u will use spherical coordinates (r, θ, 𝜙) rather than at the origin That is, the (x,y,z). Then: y depends on substitute E (r, ✓, ) = R(r)⇥(✓) ( ) f nary differ involves on • Following the same procedure as before, we can x separate the problem into three separate U2 - equations • Energies are 2m rr ✓ ◆ ✓ ◆ 1 me4 En = 1 ~2 d 2 dR(r) ~2 l(l + 1) (4⇡" ) 2 2n2 h2 – r + 2 + U (r) R(r) = ER(r) 0 sin u d 2m dr dr 2m r ✓ ◆ ✓ ◆ 13.6 eV 1 d d⇥(✓) m2l En = sin✓ + l(l + 1) 2 ⇥(✓) = E⇥(✓) n2 sin✓ d✓ d✓ sin ✓ d2 ( ) Quantum numbers: In Eqs. (41 2 that we’ll 2 + ml ( )=E ( ) n, l, ml d reduced ma We won
  19. Hydrogen Atom: Quantum States • Table below summarizes the quantum states of the hydrogen atom. For each value of the quantum number n, there are n possible values of the quantum number l. For each value of l, there are (2l + 1) values of the quantum number ml. • Question: How many distinct states of the hydrogen atom (n, l, ml) are there for n = 3 state? What are their energies?
  20. Hydrogen Atom: Quantum States • Table below summarizes the quantum states of the hydrogen atom. For each value of the quantum number n, there are n possible values of the quantum number l. For each value of l, there are (2l + 1) values of the quantum number ml. • Question: How many distinct states of the hydrogen atom (n, l, ml) are there for n = 3 state? What are their energies? The n = 3 state has possible l values 0,1 or 2. Each l value has ml possible values of (0); (-1,0,1); or (-2,-1,0,1,2). The total number of states is then 1 + 3 + 5 = 9. Each of these states have the same n, so they all have the same energy. We will see later there is another quantum number s, for electron spin (±1/2), so there actually 18 possible states for n = 3.
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