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QUANTUM
THEORY OF
TUNNELING
 QUANTUM
THEORY OF
TUNNELING

Mohsen Razavy
University of Alberta, Canada

V f e World Scientific
lflb New Jersey • London • Singapore • Hong Kong
Published by
World Scientific Publishing Co. Pte. Ltd.
5 Toh Tuck Link, Singapore 596224
USA office: Suite 202,1060 Main Street, River Edge, NJ 07661
UK office: 57 Shelton Street, Covent Garden, London WC2H 9HE

British Library Cataloguing-in-Publication Data

A catalogue record for this book is available from the British Library.

QUANTUM THEORY OF TUNNELING

Copyright © 2003 by World Scientific Publishing Co. Pte. Ltd.
All rights reserved. This book, or parts thereof, may not be reproduced in any form or by any means, electronic or
mechanical, including photocopying, recording or any information storage and retrieval system now known or to
be invented, without written permission from the Publisher.

For photocopying of material in this volume, please pay a copying fee through the Copyright Clearance Center,
Inc., 222 Rosewood Drive, Danvers, MA 01923, USA. In this case permission to photocopy is not required from
the publisher.

ISBN 981-238-018-3
ISBN 981-238-019-1 (pbk)

Printed in Singapore by World Scientific Printers (S) Pte Ltd

Preface

The present book grew out of a lecture course given at the Institute for Ad-
vanced Studies in Basic Sciences, Zanjan, Iran in the summer of 1999. The
intent at the outset was to present some of the basic results and methods
of quantum theory of tunneling without concentrating on any particular ap-
plication. It was difficult to decide what topics should be treated at length
and which ones should be omitted from the discussion. Thus my main area
of interest, the quantum theory of dissipative tunneling, was left out com-
pletely since even an introductory survey of the subject would have nearly
doubled the size of the book.
I am indebted to my dear friends and colleagues Professors Y. Sobouti and
M.R. Khajepour for giving me the opportunity of lecturing to a group of
enthusiastic graduate students and also encouraging me to write this mono-
graph. I have benefitted immensely from discussions with my colleague Pro-
fessor A.Z. Capri and with Mr. Robert Teshima. Above all, I am indebted
to my wife who never failed to support me.

v
Contents

Preface v

1 A Brief History of Quantum Tunneling 1

2 Some Basic Questions Concerning Quantum Tunneling 9

2.1 Tunneling and the Uncertainty Principle 9

2.2 Decay of a Quasistationary State 11

3 Semi-Classical Approximations 23

3.1 The WKB Approximation 23

3.2 Method of Miller and Good 31

3.3 Calculation of the Splitting of Levels in a Symmetric

Double-Well Potential Using WKB Approximation 35

4 Generalization of the Bohr-Sommerfeld Quantization

Rule and its Application to Quantum Tunneling 41

4.1 The Bohr-Sommerfeld Method for Tunneling in Symmetric

and Asymmetric Wells 45

4.2 Numerical Examples 48

vii
viii Contents

5 Gamow's Theory, Complex Eigenvalues, and the Wave

Function of a Decaying State 53

5.1 Solution of the Schrodinger Equation with Radiating

Boundary Condition 53

5.2 The Time Development of a Wave PacketTrapped Behind

a Barrier 57

5.3 A More Accurate Determination of the Wave Function of a

Decaying State 61

5.4 Some Instances Where WKB Approximation and the Gamow

Formula Do Not Work 66

6 Simple Solvable Problems 73

6.1 Confining Double-Well Potentials 73

6.2 Time-dependent Tunneling for a <5-Function Barrier 79

6.3 Tunneling Through Barriers of Finite Extent 82

6.4 Tunneling Through a Series of Identical Rectangular Barriers 90

6.5 Eckart's Potential '. . 96

6.6 Double-Well Morse Potential 99

7 Tunneling in Confining Symmetric and Asymmetric

Double-Wells 105

7.1 Tunneling When the Barrier is Nonlocal 112

7.2 Tunneling in Separable Potentials 116

7.3 A Solvable Asymmetric Double-Well Potential 119

7.4 Quasi-Solvable Examples of Symmetric and Asymmetric

Double-Wells 121
Quantum Tunneling ix

7.5 Gel'fand-Levitan Method 124

7.6 Darboux's Method 127

7.7 Optical Potential Barrier Separating Two Symmetric or

Asymmetric Wells 128

8 A Classical Description of Tunneling 139

9 Tunneling in Time-Dependent Barriers 149

9.1 Multi-Channel Schrodinger Equation for Periodic Potentials . 150

9.2 Tunneling Through an Oscillating Potential

Barrier 152
9.3 Separable Tunneling Problems with Time-
Dependent Barriers 157

9.4 Penetration of a Particle Inside a Time-

Dependent Potential Barrier 162

10 Decay Width and the Scattering Theory 167

10.1 Scattering Theory and the Time-Dependent Schrodinger

Equation 168

10.2 An Approximate Method of Calculating the Decay Widths . 173

10.3 Time-Dependent Perturbation Theory Applied to the

Calculation of Decay Widths of Unstable States 176

10.4 Early Stages of Decay via Tunneling 181

10.5 An Alternative Way of Calculating the Decay Width Using

the Second Order Perturbation Theory 184

10.6 Tunneling Through Two Barriers 186

x Contents

10.7 Escape from a Potential Well by Tunneling Through

both Sides 191

10.8 Decay of the Initial State and the Jost Function 196

11 The Method of Variable Reflection Amplitude Applied

to Solve Multichannel Tunneling Problems 205

11.1 Mathematical Formulation 206

11.2 Matrix Equations and Semi-classical Approximation for

Many-Channel Problems 212

12 Path Integral and Its Semi-Classical Approximation in

Quantum Tunneling 219

12.1 Application to the S-Wave Tunneling of a Particle Through

a Central Barrier 222

12.2 Method of Euclidean Path Integral 226

12.3 An Example of Application of the Path Integral Method in

Tunneling 231

12.4 Complex Time, Path Integrals and Quantum Tunneling . . . 237

12.5 Path Integral and the Hamilton-Jacobi Coordinates 241

12.6 Remarks About the Semi-Classical Propagator and Tunneling

Problem 243

13 Heisenberg's Equations of Motion for Tunneling 251

13.1 The Heisenberg Equations of Motion for Tunneling in

Symmetric and Asymmetric Double-Wells 252

13.2 Tunneling in a Symmetric Double-Well 258

13.3 Tunneling in an Asymmetric Double-Well 259

Quantum Tunneling xi

13.4 Tunneling in a Potential Which Is the Sum of Inverse Powers

of the Radial Distance 261

13.5 Klein's Method for the Calculation of the Eigenvalues of a

Confining Double-Well Potential 267

14 Wigner Distribution Function in Quantum Tunneling 277

14.1 Wigner Distribution Function and Quantum Tunneling . . . . 281

14.2 Wigner Trajectory for Tunneling in Phase Space 284

14.3 Wigner Distribution Function for an Asymmetric

Double-Well 290

14.4 Wigner Trajectory for an Oscillating Wave Packet 290

14.5 Margenau-Hill Distribution Function for a

Double-Well Potential 292

15 Complex Scaling and Dilatation Transformation Applied

to the Calculation of the Decay W i d t h 297

16 Multidimensional Quantum Tunneling 307

16.1 The Semi-classical Approach of Kapur and Peierls 307

16.2 Wave Function for the Lowest Energy State 311

16.3 Calculation of the Low-Lying Wave Functions by Quadrature 313

16.4 Method of Quasilinearization Applied to the Problem of

Multidimensional Tunneling 318

16.5 Solution of the General Two-Dimensional Problems 323

16.6 The Most Probable Escape Path 327

17 Group and Signal Velocities 339

xii Contents

18 Time-Delay, Reflection Time Operator and Minimum

Tunneling Time 351

18.1 Time-Delay in Tunneling 352

18.2 Time-Delay for Tunneling of a Wave Packet 356

18.3 Landauer and Martin Criticism of theDefinition of the

Time-Delay in Quantum Tunneling 365

18.4 Time-Delay in Multi-Channel Tunneling 368

18.5 Reflection Time in Quantum Tunneling 371

18.6 Minimum Tunneling Time 375

19 More about Tunneling Time 381

19.1 Dwell and Phase Tunneling Times 382

19.2 Biittiker and Landauer Time 385

19.3 Larmor Precession 388

19.4 Tunneling Time and its Determination Using the Internal

Energy of a Simple Molecule 392

19.5 Intrinsic Time 394

19.6 A Critical Study of the Tunneling Time

Determination by a Quantum Clock 398

19.7 Tunneling Time According to Low and Mende 402

20 Tunneling of a System with Internal Degrees of Freedom 411

20.1 Lifetime of Coupled-Channel Resonances 411

20.2 Two-Coupled Channel Problem with Spherically Symmetric

Barriers 413
Quantum Tunneling xiii

• 20.3 A Numerical Example 415

20.4 Tunneling of a Simple Molecule 418

20.5 Tunneling of a Molecule in Asymmetric Double-Wells 424

20.6 Tunneling of a Molecule Through a Potential Barrier 429

20.7 Antibound State of a Molecule 434

21 Motion of a Particle in a Space Bounded by a

Surface of Revolution 439
21.1 Testing the Accuracy of the Present Method 444

21.2 Calculation of the Eigenvalues 445

22 Relativistic Formulation of Quantum Tunneling 453

22.1 One-Dimensional Tunneling of the Electrons 453

22.2 Tunneling of Spinless Particles in One Dimension 458

22.3 Tunneling Time in Special Relativity 461

23 The Inverse Problem of Quantum Tunneling 471

23.1 A Method for Finding the Potential from the Reflection

Amplitude 472

23.2 Determination of the Shape of the Potential Barrier in

One-Dimensional Tunneling 473

23.3 Prony's Method of Determination of Complex Energy

Eigenvalues 476

23.4 A Numerical Example 478

23.5 The Inverse Problem of Tunneling for Gamow States 479

xiv Contents

24 Some Examples of Quantum Tunneling in Atomic and

Molecular Physics 485

24.1 Torsional Vibration of a Molecule 485

24.2 Electron Emission from the Surface of Cold Metals 488

24.3 Ionization of Atoms in Very Strong Electric Field 491

24.4 A Time-Dependent Formulation of Ionization in an Electric

Field 493

24.5 Ammonia Maser 497

24.6 Optical Isomers 500

24.7 Three-Dimensional Tunneling in the Presence of a Constant

Field of Force 501

25 Examples from Condensed Matter Physics 511

25.1 The Band Theory of Solids and the Kronig-Penney Model . . 511

25.2 Tunneling in Metal-Insulator-Metal Structures 515

25.3 Many Electron Formulation of the Current 516

25.4 Electron Tunneling Through Hetero-structures 525

26 Alpha Decay 531

Index 541
Introduction

Quantum tunneling is a microscopic phenomenon where a particle can pen-

etrate and in most cases pass through a potential barrier. This barrier is
assumed to be higher than the kinetic energy of the particle, therefore such a
motion is not allowed by the laws of classical dynamics. The simplest prob-
lems in quantum tunneling are one-dimensional and most of the research
is done on these problems. But the extension of one-dimensional tunneling
to higher dimensions is not straightforward. In addition there are certain
characteristics that appear in two- or three-dimensional tunneling which do
not show up in the one-dimensional motion.
In most of the one-dimensional problems we study the motion of a
particle in a potential V(x), where V(x) has a finite (or sometimes infinite)
number of maxima. As long as the height of the barriers remain finite, the
motion of the particle will not be restricted and we may choose the energy of
the particle E to be greater than the asymptotic value of the potential say
at x = —oo. Then the simplest case will be that of a particle with energy
E > V(—oo) approaching the barrier from the left and then penetrating the
barrier. Now depending on whether E > V(oo) or E < V(oo) the particle
can pass through the potential or be reflected back and move to x = —oo.
The value of E is arbitrary as long as these conditions or inequalities are
met.
The other possibility is the one where the potential is finite on one side
and tends to infinity on the other, e.g. V(—oo) = oo and V(oo) is finite. In
addition the potential has at least one local maximum say at x = a. Then
depending on the boundary conditions of the problem we can have two dif-
ferent possibilities:
(i) - If the particle moves from x = oo in the direction of a; = — oo, then
there is the possibility that by tunneling the particle can enter the region
between a and — oo and stays there for a finite time (a metastable state).

xv
xvl Introduction

(ii) - If the initial condition shows that the particle is in the region — oo <
x < a, then in the course of time by the process of tunneling the parti-
cle passes through the barrier and goes to x = oo. This initial state has
also a finite lifetime. In both of these cases there are characteristic energies
for which the tunneling probability is large, whereas for other energies it is
small.
The third possibility is when the potential V(x) is a confining poten-
tial, i.e. V(x) tends to infinity on both sides of the central maximum (or
maxima), V(x) —> oo as x —> ±00. In this case the motion of the particle
will be restricted to a part of the x-axis. Depending on the number of max-
ima of V(x), we can have the eigenvalue problem for a double- or multi-well
potential. The motion of the wave packet for double-wells, due to their im-
portance in applied physics have received extensive treatment.
The double-wells can be symmetric or asymmetric. The motion of a
wave packet which represents the particle in a symmetric double-well, under
certain conditions, can be obtained from the superposition of the eigenfunc-
tions of the two lowest states of the system. When this happens then the
wave packet oscillates between the two wells with a well defined frequency,
and it also preserves its shape after successive back and forth tunneling. This
very important case is called quantum coherence. For asymmetric wells, if
the motion from one well to the other takes place by tunneling, then we
have a situation which we call quantum hopping.
In two or three dimensions when the barrier is only a function of the
distance from the origin of the coordinate system, i.e. p = \Jx2 + y2 or
r = \/x2 + y2 + z2, we can separate the variables in the Schrodinger equa-
tion and thus reduce the problem to a one-dimensional motion but now with
the boundary conditions imposed at p — 0 or r = 0 and at p and r infinity.
For instance in three dimensions if we assume that V(r —> 00) —> 0 and
that V(r) has a maximum at r = a, then if the particle is originally con-
fined in the region 0 < r < a, it can tunnel through the barrier and go to
infinity. These special cases of two- or three-dimensional tunneling can be
regarded as one-dimensional but the potentials V(p) and V(r) are replaced
by Veff(p) and Veff(r), with the boundary condition that the reduced radial
wave function must vanish at the origin.
In the first chapter of this book we present a brief history of the subject
of quantum tunneling and the role that a number of pioneers played in its
development. In the second chapter we discuss the physics of tunneling and
the solution to the problem of local kinetic energy provided by the uncer-
tainty principle. Furthermore we show that the principles of wave mechanics
imply that, in general, the decay of the system, either because of tunneling
Quantum Tunneling xvii

or by some other mechanism, is nonexponential. Following this argument,

we consider a special solvable problem to show that the exponential decay
law is a very good approximation except for very short initial time and also
after a very long time, and only at these extremes there are departures from
the exponential decay. In the third chapter we study the semi-classical or
WKB approximation and the conditions under which this approximation
is valid. In addition we discuss another approach proposed by Miller and
Good. We apply the WKB technique to calculate the energy separation be-
tween the two lowest levels of a symmetric double-well potential. Another
important semi-classical approximation is the quantization rule of Bohr and
Sommerfeld which is of great historical significance in atomic physics. In
Chapter 4 we generalize this rule to the problems of quantum tunneling and
we find the well-known Gamow formula for the decay of a system by means
of tunneling. The same Bohr-Sommerfeld rule can also be used to determine
the energy levels of symmetric and asymmetric double-wells.
. Gamow found his formula by employing the complex eigenvalues and
the Gamow states. In Chapter 5 we show that even though Gamow's ap-
proach is in apparent contradiction with the principles of quantum theory
and this is a result of the approximate nature of this approach, nonethe-
less it is a useful approximation. Realizing that Gamow's approach is an
approximation, we find that there are certain systems for which this ap-
proximation breaks down. In addition to discussing these systems, we find
that the method has another shortcoming, viz, for the wave functions cor-
responding to the complex eigenvalues, the integral / \ip\2dx is divergent.
A re-examination and resolution of this difficulty is also given in Chapter
5. In the next chapter (Chapter 6) we solve a number of simple problems
for which analytic solutions are known, and we determine, in appropriate
cases, the lifetime of the quasistationary states, and or the motion of the
wave packets. Of special interest is the resonant tunneling from either two
identical barriers or a group of barriers. In addition to these, we discuss the
question of tunneling in nonlocal and separable potentials for which little is
known. In Chapter 7 we return to the problem of tunneling in double-wells.
Here we will discuss the possibility of tunneling of a wave packet which
originally is localized in one of the wells to the second well. While for two
symmetric wells, the tunneling is always possible, for asymmetric wells tun-
neling is possible only when certain conditions are satisfied, we discuss these
conditions in this chapter. Chapter 8 deals with the interesting question
of the classical description of tunneling. This is achieved by coupling the
motion of the tunneling particle to a specific system with infinite degrees of
freedom.
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