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книги из ГПНТБ / Немошкаленко В.В. Теоретические основы рентгеновской эмиссионной спектроскопии

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C O N T E N T S

 

 

P re fa c e ........................................................................................

 

 

 

 

 

 

 

 

 

3

 

 

 

 

 

G

h a p

t e г l

 

 

 

 

 

 

ELEMENTS OF BAND THEORY

 

Elements of Abstract Group Theory......................................

 

 

8

Definition of Group and Subgroup...............................

 

8

Conjugate Elements and C la sse s ..................................

 

 

10

Invariant

Subgroup

(Normal

D iv iso r).....................

11

Factor-Group

..................................................................

 

 

 

 

 

11

Group

Isomorphism

and

Homomorphism . . .

12

Representations of Finite Groups

......................................

 

 

14

Matrix

Representation..................................................

 

 

 

 

14

Reducible

and

Irreducible Representations . . .

17

Orthogonality

Relation

for

Matrix

Elements

 

of

Irreducible

Representations.....................................

 

 

21

Character

of

Representations

......................................

 

 

23

Regular Representations..............................................

 

 

 

25

Number of Irreducible Representations.....................

25

Direct

Product of Group

Representations . . . .

28

Representations

of

Schrodinger

Equation

Symmetry

 

G roup..........................................................................................

 

 

 

 

 

 

 

 

 

29

Plotting of Basic Functions for Irreducible Representa­

 

tions

...........................................................................................

 

 

 

 

 

 

 

 

 

32

Projection

Operators ..................................................

 

 

 

 

32

Orthogonality

of Basic F u n ctio n s.............................

 

35

Selection

R u le s ..............................................................

 

 

 

 

 

36

Symmetry

Transformations..................................................

 

 

 

 

37

Point

G roups..........................................................................

 

 

 

 

 

 

 

42

Euclidian G roup ......................................................................

 

 

 

 

 

 

48

Brave’s L a ttic e s ......................................................................

 

 

 

 

 

 

50

Discrete Vector Groups..................................................

 

 

 

 

50

Symmetry

of Brave’s Lattices......................................

 

 

52

Types of

Brave’s Lattices..............................................

 

 

 

54

Crystalline

Classes

......................................................

 

 

 

 

56

Space

Groups

 

......................................................................

 

 

 

 

 

 

57

Representations of Space Groups..........................................

 

 

59

Translation

G ro u p s ......................................................

 

 

 

 

59

Irreducible Representations of Symmorphic Space

 

G ro u p s

..........................................................................

 

 

 

 

 

 

 

64

Irreducible

Representations

of

Nonsymmorphic

 

Space

G roups..................................................................

 

 

 

 

 

67

Dependence of

Group Irreducible

Representations

 

on Choosing Origin of Coordinates

.........................

 

71

Continuous

Groups..................................................................

 

 

 

 

 

71

Linear

Transformations..............................................

 

 

 

71

Three-dimensional Group of Pure Rotations 0+ (3)

72

Homomorphism of Two-dimensional Unitary

 

 

Group

to

Rotation

 

Group.....................................

 

 

 

 

 

74

Double Groups

and

Spin-orbital

Interaction . . .

 

78

Transformation Properties

of Spinor Wave Fun­

 

ctions ..............................................................................

 

 

 

 

 

 

 

 

 

 

 

78

Energy

Eigenvalues

and

Basic

Functions . . .

 

81

Irreducible Representations of

 

Double

Groups

 

82

Degeneration Splitting by Spin-orbital

Interaction

85

Symmetry Properties

of

Energy

 

B a n d s ...............

 

87

Crystals with Symmorphic Space Groups . . .

 

87

Continuity and Compatibility of Irreducible

 

Representations

of

Group G (k ).............................

 

 

 

89

Some Symmetry Properties of Energy Bands .

.

91

Symmetry with Respect to Time Sign

Change . . . .

 

92

Application of Group Theory to Band Calculations .

.

97

 

 

 

G h a p t e r

 

2

 

 

 

 

 

CALCULATION OF ENERGY BANDS

 

 

 

 

 

 

IN SOLIDS

 

 

 

 

 

 

Construction

of

Crystalline Potential

Equations .

.

99

Hartree — Fock

Equations..............................

 

 

 

 

99

 

Exchange

Potential

 

.................................................

 

 

 

 

 

 

102

Consideration of

Correlation

Effects.....................

 

 

I 08

Koopmans

Corrections......................................

 

 

 

 

 

110

 

Relativistic

Equations......................................

 

 

 

 

 

113

 

Methods for Calculation of Energy

 

Bands

inCrystals

118

Method of Augment Plane Waves

and Its Relati­

 

vistic Generalization

..................................................

 

 

 

 

 

 

118

Method of Green’s Function and Its Relativistic

 

Generalization.......................................................

 

 

 

 

 

 

 

 

163

 

Method of Orthogonalized

Plane Waves . . . .

 

193

Method

of

Pseudopotential..............................

 

 

 

 

203

 

Method for

Calculation

of

Energy

Bands

in Disor­

 

dered A lloys...................................................................

 

 

 

 

 

 

 

 

 

220

 

Formal

Theory of Green’s F u n ctio n s..........

220

 

Method of Coherent Potential

 

.............................

 

 

 

231

Interpolation Methods for

Calculation

of Energy Spe­

 

ctrum in C ry sta ls .......................................................

 

 

 

 

 

 

 

 

242

 

Construction

of Symmetrized Wave Functions . .

.

258

 

 

 

G h a p t e r

 

3

 

 

 

 

STRUCTURE OF ENERGY BANDS

 

 

 

 

 

 

IN CRYSTALS

 

 

 

 

Polyvalent

M etals......................................................

262

Noble M eta ls...............................................................

271

Transition

M etals.......................................................

275

Metals

 

with FCC

L a t t ic e .......................................

 

 

 

 

 

275

Metals

 

with BCC

L a tt ic e .......................................

 

 

 

 

 

280

Metals

 

with HCP L a t t ic e .......................................

 

 

 

 

 

283

Peculiarities

of

Electronic Structure in

Transition

 

M e ta ls ....................................................................................

 

 

 

 

 

 

 

 

 

 

 

 

285

Rare-Earth

M e ta ls ..............................................................

 

 

 

 

 

 

 

 

288

Compounds

of TransitionMetals

...................................

 

 

 

 

289

Alloys of

TransitionM e ta ls .............................................

 

 

 

 

 

 

297

Dielectrics

 

and

Semiconductors..................................

 

 

 

 

302

 

 

 

 

 

C h a p t

e r

4

 

 

 

 

 

 

UNIELECTRONIC AND MULTIELECTRONIC

 

 

 

 

 

APPROXIMATIONS IN THE THEORY

 

 

 

 

 

 

OF X-RAY EMISSION SPECTRUM

 

 

 

Calculation of Intensity Distribution in X-Ray

Emis­

 

sion Bands

in Unielectronic Approximation .

. .

.

313

Calculations

of Intensity

Distribution

in

X-Ray

317

Emission

Bands of Light-Weight Elements

. .

.

Calculations

of Intensity

Distribution

in X-Ray

326

Emission Bands of Transition

M etals.....................

 

 

 

 

Emission X-Ray Spectra of Disordered Alloys .

. .

.

335

Plasma Satellites

in Soft

X-Ray Emission

Spectra

of

 

M etals......................................................................................

 

 

 

 

 

 

 

 

 

 

 

 

345

Unielectronic

Density

of States

of System

of

Interac­

 

ting Electrons and Its

Relation with X-Ray

Emission

 

Spectra

. ■..............................................................................

 

 

 

 

 

 

 

 

 

 

 

352

Influence of Multielectronic Effects on the X-Ray

 

Emission

Spectra

Shape

in Low-energetic

and

High-

 

energetic

R e g io n s ..............................................................

 

 

 

 

 

 

 

 

358

References..............................................................................

 

 

 

 

 

 

 

 

 

 

 

363

Su m m ary ..............................................................................

 

 

 

 

 

 

 

 

 

 

 

375

ВЛАДИМИР ВЛАДИМИРОВИЧ НЕМОШКАЛЕНКО

ВАЛЕНТИН ГРИГОРЬЕВИЧ АЛЕШИН

ТЕОРЕТИЧЕСКИЕ ОСНОВЫ РЕНТГЕНОВСКОЙ ЭМИССИОННОЙ СПЕКТРОСКОПИИ

Печатается по постановлению ученого совета Института металлофизики АН УССР

Редактор Е. Л. Орлик Художественный редактор И. П. Антонюк Оформление художника Б. И. Бродского Технический редактор М. А. Притыкина

Корректор А. И. Разбицкая

Сдано в иабор 20.VII 1973 г. Подписано к пе­ чати 26. III 1974 г. БФ 01256. Зак. № 3—2023. Изд. К? 2!. Тираж 2450. Бумага № 1, 60X 907ie.

Условн. печ. листов 24,0. Учетно-изд. лис­ тов 26.64. Цена 2 руб. 95 коп.

Издательство «Наукова думка>, Киев, Репи на, 3.

Головное предприятие республиканского произ­ водственного объединения «Полиграфкнигаэ» Госкомиздата УССР, г. Киев, ул. Довженко, 3.

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