Chapter 1 Equations

density N A

nat

M at
E
nE
C exp
kT
N
= Y
Cm

3 ; C 3R
R m
2

1
KE PE
2

Chapter 2 Equations

Ze2
V (r )
4 o r

F = qv B
RH

Ey

J x Bz

1
en

dQ
T
A
dt
x

8
2
CWFL 2.4510 W K
T
Q A

T
T

L
(L/ A)

Q
A

= ene + eph
T

qi ni i
vdx = dEx
e
me

e 2 n
end
me

1
SuNs

Bz ( x, t ) Bo sin(kx t )
1
c oE o2 c
2
k
N ph

T = AT

I phh ph At

= T + I

= T + R

p mv

1
o T T To

[1 + o(TTo)]
I = CX(1 X)

= matrix + CX(1 X)

2 2
p2
k
V hf
V
2m
2m

III ( x)

eff c

(1 d )
(d < 0.1c )
(1 2 d )

Et

xpx

eff =
eff

iEt
( x, t ) ( x)exp

d 2
2m
2 E V 0
dx 2

1
)
2 d (d > 10c )
c
(1 d )

k k

h
2

eff =

(1

I ( x)

2
2

2
1
2
1

C
1

A
1 D sinh 2 (a)

Vo2
4 E (Vo E )

T To exp(2 a)
16 E (Vo E )
To
Vo2

L 1

1/ 2

Lz m

1 m 0, 1
S s s 1

A22
1 T
A12

1/ 2

ms

1
2

1
2

e
L
2me
e
spin S
ms
EBL orbitalB cos

orbital

E y ( x, t ) Eo sin(kx t )

rmax

n 2 ao

S z ms

Chapter 3 Equations

me4
EI 2 2 2.18 1018 J
8 o h

me4 Z 2
En 2 2 2
8 o h n

e
e
e
LB cos
Lz B
m B
EBL
2
m
2
m
e
e
2me

e
ESL dvms m
B* d dE
*
2

m d E dk
g
*
e E
Fext m*a mm

2
i t dt
dt
dk (k) dk
idt
t
e ; note:
E E (k )
Chapter 4eEquations

dk m* d 2 E dk
k sin n
vg2 1 dE
dt
d dk dt dk
m*

d 2E
2
dk

g ( E ) 8 21/ 2

me
2
h

3/ 2

E 1/ 2

N2
E E1
exp 2

N1
kT

f (E)

1
E EF
1 exp

kT

h 2 3n

EFO
8me
2 kT 2

EF (T ) EFO 1
12 EFO
2/3

Chapter 4 Equations (cont.)

Chapter 5 Equations

3
Eav (0) EFO
5

P.E. Ec Eref

5 2 kT 2
3

Eav (T ) EFO 1
5
12 EFO
V S k T x
S
3eE FO
T
2

VAB S A S B dT S AB dT
T

To

To

VAB aT b(T ) 2

J BeT 2 exp

kT
S E 1/ 2

J BeT 2 exp
kT

E
J field emission CE exp c
E
2

1 2
x
2

En n
2

Ephonon h

pphonon K

2
M

1/ 2

sin Ka
2

d
1

a cos Ka
dk M
2

1/ 2

vg

K .E. e E Ec

eVo = m - n

K .E. h Ev E

B = m = eVo + (Ec EFn)

1 dEc 1 dEv
E

q dx q dx

eV
J J o exp
1
kT

dE
q
( p n N d N a )
dx s s

2m* kT 3 / 2
e

Nc 2

h 2
(E Ev )
p Nv exp F

kT
3
/
2
2m* kT
h

Nv 2

ni 2
h eN d e

Nd

eN d e e
f d (Ed )

Y
v g

max v6 N A / V
max
TD

1/ 3

C m 3R

T
Cm
TD

1
3

Cv vph ph

1
1

nph T

N
1

nph T 5

1
(Ed EF )
1
1 exp

kT
2

L T 3 / 2
1

k
3

h2

Eg

np ni2 N c N v exp
kT
N
1
1
EFi Ev Eg kT ln c
2
2
Nv
m*
1
3
e
EFi Ev Eg kT ln
*

2
4
mh
3
E CB Ec kT
2

1/ 2

1
Ec Eref
q

(E E F )
n Nc exp c

kT

J BoT 2 exp

kT

V ( x)

pn
1 J p pno
h n
Gph
t
e x
h
n p 1 J e n p n po

Gph

t e x
e

T 3/ 2
NI

dn
dx
dp
J h ep hE x eDh
dx

J e eneE x eDe

De

kT
e

Dh

kT
e

kT n2
ln

e n1

pn
1 J
p pno
h n
Gph
t
e x
h

V2 V1

Math
y P x y Q x y R x
y P x y Q x y 0
p p 2 4q
2
p 2 4q 0 : yg c1em1x c2em2 x

m2 pm q 0 : m1 , m2

p 2 4q 0 : yg eax c1eibx c2eibx

p 2 4q 0 : yg c1emx c2 xemx
R x eax : y p Aeax
R x sin bx cos bx : y p A sin bx B cos bx
R x a0 a1 x ... an x n : y p A0 A1 x ... An x n

ln ab ln a ln b

a
ln ln a ln b
b

ln a n n ln a
eix cos x i sin x
eix eix
eix eix
cos x
sin x
2
2i
e x e x
e x e x
cosh x
sinh x
2
2i
sin x y sin x cos y cos x sin y

cos x y cos x cos y sin x sin y

tan x y

tan x tan y
1 tan x tan y

1 cos x
x
sin
2
2
1 cos x
x
cos
2
2
sin 2 x 2sin x cos x
cos 2 x cos 2 x sin 2 x
cos 2 x 2 cos 2 x 1
cos 2 x 1 2sin 2 x

2 tan x
1 tan 2 x
x y
x y
sin x sin y 2sin
cos

2
2
x y x y
sin x sin y 2 cos
sin

2 2
x y
x y
cos x cos y 2 cos
cos

2
2
tan 2 x

x y x y
cos x cos y 2sin
sin

2 2
w w1 x w2 y w3 z
v v1 x v2 y v3 z
v w v1w1 v2 w2 v3w3

v w v2 w3 w2v3 x v1w3 w1v3 y v1w2 w1v2 z

v v v
y z x

x y z z x y
z y x y x z x z y

x x y y z z 0
f c f c x c

f x f c

f c
2
3
x c
x c ...

3!
2!

df u x
dx

df du
du dx

Physical Constants and Conversion Factors

Quantity
Gravitational constant
Acceleration of gravity
Avogadros number
Molar gas constant
Speed of light
Permeability of vacuum
Permittivity of vacuum
1/0c2
Boltzmanns constant
Plancks constant
Elementary charge
Mass of electron
Mass of proton
Mass of neutron
Atomic mass unit
unified=m(C12)/12
Bohr radius
Compton wavelength of the
electron (=h/mec2)
Fine structure constant
q2/20hc
Rydberg constant
mec2/2h

Symbol
G
g
NA
R
c
0
0
k
h
q
me
mp
mn
mu

Value
6.67259 x 10-11
9.80665
6.0221367 x 1023
8.314510
2.99792458 x 108
4 x 10-7
8.854187817 x 10-12
1/36 x 10-9
1.380658 x 10-23
6.6260755 x 10-34
1.60217733 x 10-19
9.1093897 x 10-31
1.6726231 x 10-27
1.6749286 x 10-27
1.6605402 x 10-27

Units
Nm2/kg2
m/sec2
number/mole
J/molK
m/sec
N/A2
C2/Nm2
C2/Nm2
J/K
Jsec
C
kg
kg
kg
kg

a0
c

0.529177249 x 10-10
2.42631058 x 10-12

m
m

1/137.0359895

1.0973731534 x 107

1 eV = 1.6 x 10-19 J
1 atm = 101315 Pa
1 Pa = 1 N/m2
1 bar = 105 Pa
1 torr = 133.32 x 10-5 bar
300 K = 25.85 meV
77 K = 6.635 meV
4.2 K = 0.362 meV
(m) = 1.239852/h (eV)

m-1

1 J = 107 erg
1 N = 105 dyne
1 Wb = 108 maxwell
1 T = 104 gauss
1 F = C2/Nm
1 calorie (thermochemical) = 4.1840 J
0 oC = 273.16 K
o
F = 1.8 x oC + 32
1 mil = 25.4 m

ChemGlobe - Periodic table of elements

1
1

18

http://periodictable.tsx.org

1A

1.01

0
4.00

2
1s

1s

1,-1

H
-259

0.09

-253

2.1

2
2A

6.94 4

9.01

[He] 2s

Li

Be

181

0.53 1277

1330

1.0

11

22.99 12

Melting point [C]

2140

Boiling point [C]

5030

3B

Oxydation states

Tc

Symbol

1.85

2970

13

Atomic mass (mean relative)

6
[Kr] 4d 5s

2
[He] 2s

43 (98.91)

Atomic number
Electron configuration

Density [g/cm ], for gases [g/l] (0C,1013mbar)

1.9

Electronegativity

5B

12.01 7

[He] 2s 2p

[He] 2s 2p

4,2,-4

5,4,3,2,-3

-2,-1

-1

2550

2.0

13

4830

26.98 14

2.2 -210

1.25 -219

2.5 -196

3.0

28.09 15

-183

30.97 16

4.0 -246

32.06 17

35.45 18

[Ne] 3s

2
4
[Ne] 3s 3p

2
5
[Ne] 3s 3p

4,-4

5,3,-3

6,4,2,-2

7,5,3,1,-1

0.97 650
0.9

1.2

3
3A

4
4A

5A

6A

7A

10
8

1B

2
[Ar] 3d 4s

2
2
[Ar] 3d 4s

3
2
[Ar] 3d 4s

5
[Ar] 3d 4s

5
2
[Ar] 3d 4s

6
2
[Ar] 3d 4s

7
2
[Ar] 3d 4s

8
2
[Ar] 3d 4s

4,3

5,4,3,2,0

6,3,2,0

7,6,4,3,2,0,-1

6,3,2,0,-2

3,2,0,-1

3,2,0

760

0.8

1440

85.47 38

58.93 28

58.70 29

Cr Mn Fe Co

1.55 1539

3.0 1668

4.54 1900

6.1 1875

7.19 1245

2730

1.3 3260

1.5

3450

1.5 2200

1.6

1.0

55.85 27

11

2
[Ar] 4s

Ti

54.94 26

Ca Sc

52.00 25

[Ar] 4s

0.86 838

50.94 24

44.96 22

47.88 23

40.08 21

64

37

1.74

1107

39.10 20

2097

3000

1.5

2B

63.55 30

2.70 1410

2450

1.5

2680

280

1.8

445

2.1

74.91 34

Ar

79.90 36

10
[Ar] 3d 4s

10
2
[Ar] 3d 4s

10
2
[Ar] 3d 4s 4p

72.59 33

78.96 35

10
2
2
[Ar] 3d 4s 4p

10
2
3
[Ar] 3d 4s 4p

10
2
4
[Ar] 3d 4s 4p

10
2
5
[Ar] 3d 4s 4p

2,1

5,3,-3

6,4,-2

7,5,3,1,-1

8.9 1083

8.96 420

2900

1.9 2730

1.9 2595

1.9

5.91 937

7.13 30

906

2237

1.6

2830

1.6

5.32 Subl.

5.72 217

1.8

2.0

58

2.4

Kr

2.8

91.22 41

[Kr] 5s

2
[Kr] 4d 5s

2
2
[Kr] 4d 5s

4
[Kr] 4d 5s

5
[Kr] 4d 5s

6
[Kr] 4d 5s

7
[Kr] 4d 5s

8
[Kr] 4d 5s

10
[Kr] 4d

10
[Kr] 4d 5s

10
2
[Kr] 4d 5s

10
2
[Kr] 4d 5s 5p

10
2
2
[Kr] 4d 5s 5p

10
2
3
[Kr] 4d 5s 5p

10
2
4
[Kr] 4d 5s 5p

10
2
5
[Kr] 4d 5s 5p

5,3

6,5,4,3,2,0

8,6,4,3,2,0,-2

5,4,3,1,2,0

4,2,0

2,1

4,2

5,3,-3

6,4,-2

7,5,1,-1

Sr

688

0.8

1380

4.47 1852

1.0 2927

1.2

4927

1.4

10.2 2140

8.57 2610

6.49 2468

3580

Ru Rh Pd Ag Cd

Nb Mo Tc

Zr

2.6 1509

5560

1.6

5030

1.8

3900

1.9

12.4 1552

12.4 1966

11.5 2500

3730

2.2

3140

2.2

2210

2.2

765

1.9

Sn Sb Te

In
2080

1.7

7.30 631

7.31 232

8.65 156

10.5 321

12.0 961

2
[Xe] 6s

14
2
[Xe] 4f 5d 6s

14
2
2
[Xe] 4f 5d 6s

14
3
2
[Xe] 4f 5d 6s

Ba Lu Hf

6 Cs

1.90 714

29

0.7 1640

690

3.76

1652

9.84 2222

0.9

3327

1.2

5400

[Xe] 4f

[Xe] 4f

[Xe] 4f

5d 6s

[Xe] 4f

8,6,4,3,2,0,-2

5500

1.9

Pt
22.7 1769

[Rn] 7s

14
2
[Rn] 5f 6d 7s

Ra Lr

Fr
(27)

14
2
2
[Rn] 5f 6d 7s

700

0.7 1140

5.0

0.9

Rf
- - -

14
3
2
[Rn] 5f 6d 7s

2270

1.7

6d 7s

[Rn] 5f

6d 7s

1380

1.8

990

1.9

[Xe] 4f

5d

Au Hg
2970

14
9
[Rn] 5f 6d 7s

3,1

4,2

Tl

Pb

11.85 327

13.6 303

357

2.4

(269) 111

1457

1.9

(272) 112

--

--

--

--

--

--

--

6,4,2

1560

1.9 962

116

(289)

Uuq-

At

Uuh-

(145) 62 150.36 63 151.96 64 157.25 65 158.93 66 162.50 67 164.93 68 167.26 69 168.93 70 173.04

4
2
[Xe] 4f 6s

5
2
[Xe] 4f 6s

6
2
[Xe] 4f 6s

7
2
[Xe] 4f 6s

7
2
[Xe] 4f 5d 6s

9
2
[Xe] 4f 6s

10
2
[Xe] 4f 6s

11
2
[Xe] 4f 6s

12
2
[Xe] 4f 6s

13
2
[Xe] 4f 6s

14
2
[Xe] 4f 6s

3,2

3,2

4,3

3,2

3,2

89

6.67 935

3468

1.1

Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb

6.77 1024

3127

1.1

3027

7.00 (1027)
1.2

2460

7.22 1072
-

1790

92 238.03 93 (237.05) 94
(227) 90 232.04 91 231.04
2
2
3
2
4
2

7.54 828
1.2

5.26 1312

1439

95
(244)
6
2

7.89 1356

3000

1.1

96
(243)
7
2

2800

(247)2 97
7

8.27 1407
1.2

2
2
[Rn] 6d 7s

[Rn] 5f 6d 7s

[Rn] 5f 6d 7s

[Rn] 5f 6d 7s

[Rn] 5f 7s

[Rn] 5f 7s

[Rn] 5f 6d 7s

[Rn] 5f 7s

5,4

6,5,4,3

6,5,4,3

6,5,4,3

6,5,4,3

4,3

4,3

Ac Th Pa
10.1 1750

1.1

3850

1.3

15.4 1132

11.7 (1230

1.4

3818

3900

19.5 640

1.3

3235

13.7 (1340)

19.81 994

* 1.3

1.3

3100

13.51 -

*-

8.54 1461
-

7s

4,3

- -

8.80 1497
1.2

9.33 824

9.05 1545
1.2

1727

1.2

6.98

1196

1.1

(254) 100

11
2
[Rn] 5f 7s

(257) 101

12
2
[Rn] 5f 7s

(258) 102

13
2
[Rn] 5f 7s

14
2
[Rn] 5f 7s

3,2

- -

2900

(259)

Es Fm Md No

Cf
- -

2600

99
(251)
10
2

[Rn] 5f

Np Pu Am Cm Bk

19.07 637

* 1.4

2600

98
(247)
9
2

2
[Rn] 6d 7s

1050

118

4,3

1.1

2.2 -62

- -

- -

- -

- -

- -

- -

- -

9.73

(293)

Uuo-

[Xe] 4f 6s

6.17 795

(-71)

4,3

La Ce Pr

(222)

Rn
-

2.0 337

(289)

[Xe] 4f 6s

3470

(210) 86

9.3 (302)

9.8 254

920

5.89

-108

7,5,3,1,-1

Po

Bi

1.9

114

5,3

11.4 271

1725

1.8

(277)

14
10
[Rn] 5f 6d 7s

2.5

(209) 85

[Xe] 4f14 5d10 6s2 6p [Xe] 4f14 5d10 6s2 6p2 [Xe] 4f14 5d10 6s2 6p3 [Xe] 4f14 5d10 6s2 6p4 [Xe] 4f14 5d10 6s2 6p5 [Xe] 4f14 5d10 6s2 6p6

6s

2,1

19.3 -38

Xe
4.94 -112

183

2.1

2
[Xe] 5d 6s

Lanthanoids

6d 7s

57 138.91 58 140.12 59 140.91 60 144.24 61

2
2
3
2

Actinoids

[Rn] 5f

6s

Db - Sg - Bh - Hs - Mt - Uun- Uuu- Uub-

---

[Rn] 5f

5d

3,1

2.2

(268) 110

14
7
2
[Rn] 5f 6d 7s

[Xe] 4f

21.4 1063

3830

2.2

87 (223.0) 88 226.03 103 (262.1) 104 (261.1) 105 (262.1) 106 (263.1) 107 (264.1) 108 (265.1) 109
14
4
2
14
5
2
14
6
2
2
[Rn] 7s

5d 6s

Ir
4500

2.2

[Xe] 4f

4,2,0

22.6 2454

21.0 3050

5900

1.7

5d 6s

6,4,3,2,1,0,-1

Re Os

19.3 3180

5930

1.5

5d 6s

7,6,4,2,-1

16.5 3410

5425

1.3

5d 6s

6,5,4,3,2,0

Ta

13.31 2996

10
2
6
[Kr] 4d 5s 5p

6.24 114

6.69 450

55 132.91 56 137.33 71 174.97 72 178.49 73 180.95 74 183.85 75 186.21 76 190.20 77 192.22 78 195.08 79 196.97 80 200.59 81 204.38 82 207.20 83 208.98 84
14
4
2
14
5
2
14
6
2
14
7
2
14
9
14
10
14
10
2
[Xe] 6s

3.7

-152

95.94 43 (98.91) 44 101.07 45 102.91 46 106.42 47 107.87 48 112.41 49 114.82 50 118.69 51 121.75 52 127.60 53 126.90 54 131.29

88.91 40

1.53 768

10
2
6
[Ar] 3d 4s 4p

3.12 -157

4.79 -7

685

83.80

Cu Zn Ga Ge As Se Br

Ni

1.78

3.0 -183

69.72 32

8.9 1453

2
6
[Ne] 3s 3p

3.2 -189

-35

2.5

0.9

39.95

Cl
2.07 -101

1.82 119

2.33 44

65.38 31

7.86 1495
1.8

Si

660

2
[Kr] 5s

39

91.22 42

7.43 1536

Al

12

87.62 39

5 Rb

-188

2
3
[Ne] 3s 3p

19

Ne
1.7 -249

2
2
[Ne] 3s 3p

892

2
6
[He] 2s 2p

3.5

20.18

1.43 -220

2
[Ne] 3s 3p

98

677

10
19.00
2
5

2.35 (3550)

018

-269

2
[Ne] 3s

3 Na Mg

7B

9
16.00
2
4

2
3
[He] 2s 2p

(2030)

24.31

6B

14.01 8

He

17

2
2
[He] 2s 2p

Radioactive

1.5

4B

10.81 6

16

2
[He] 2s 2p

11.5

15

14

2000 ChemGlobe (http://chemglobe.tsx.org)