CHAPTER II

Physics

Contents IIa. Zinc Blende Alloy Materials: Band Structures and Binding

Properties

1. Introduction 7

2. Survey of First Principles Status 8

3. Crystal Structures, Binding, and Elastic Constants 9

3.1. Crystal structures 9

3.2. Insights from the bond orbital approximation 11

4. Concentration Fluctuations 15

4.1. Introduction 15

4.2. General statistical theory 17

4.3. Examples 18

5. Conclusions 19

Acknowledgments 20

References 20

IIb. Optical Phonon Spectra in CdTe Crystals and Ternary

Alloys of CdTe Compounds

1. Introduction 22

2. Phonon Spectra of CdTe 22

2.1. Bulk crystal 22

2.2. Films 25

2.3. Nanostructures 25

3. Localized Modes of Impurities in CdTe 27

4. Ternary Alloys of the CdTe Compounds 29

References 36

IIc. Band Structure

1. Basic Parameters at 300 K and Lower Temperatures 38

1.1. Band structure 38

1.2. Complex loss function 42

1.3. The CdTe(001) surface 44

1.4. Donors and acceptors 47

2. Electrical Properties 50

2.1. Carrier concentration limits 51

2.2. Mobilities 55

2.3. Carrier diffusion lengths and lifetimes 55

References 56

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