Chem 253B. Crystal Structure. Chem 253C. Electronic Structure

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1 Chem 5, UC, Berele Chem 5B Crstl Structure Chem 5C Electroic Structure Chem 5, UC, Berele 1

2 Chem 5, UC, Berele Electroic Structures of Solid Refereces Ashcroft/Mermi: Chpter 1-, 8-10 Kittel: chpter 6-9 Gerste: Chpter 7, 11 Burdett: chpter 1- Hoffm: p1-0 Chem 5, UC, Berele

3 Chem 5, UC, Berele Si NW Chem 5, UC, Berele

4 Chem 5, UC, Berele Chem 5, UC, Berele Crrier Mobilit Mometum gied durig the me free flight ee v d * m vd ee m* Mometum lost i collisio Drift velocit Mobilit: the rtio of the drift velocit over the pplied electric field v d E e m* cm V -1 s -1 4

5 Chem 5, UC, Berele Chem 5, UC, Berele Idepedet Electros Free Electro Approimtio 5

6 Chem 5, UC, Berele Chem 5, UC, Berele E m 6

7 7 Chem 5, UC, Berele m E From 1D to D: A r si si si ] [ m E Chem 5, UC, Berele Periodic Boudr Coditio E F K F K r r m Solutio: trvelig ple wve ep i A Where: m E : periodicit, lttice costt

8 Chem 5, UC, Berele Normlitio: D Periodic Boudr Coditio * Aep i r dr 1 A ep i rep i r dr A V V: uit cell volume V 1/ ep i r de Broglie wvelegth Chem 5, UC, Berele Eerg Eigevlue: Momet Opertor: E m pˆ i r pˆ r i m r r r Aep i r E F Mometum Eigevlue: K F K p 8

9 9 Chem 5, UC, Berele With periodic boudr coditios: 1 i i i e e e D spce: Are per poit: D spce: Are per poit: V 8 A regio of spce of volume will coti: llowed vlues. 8 8 V V Chem 5, UC, Berele Reciprocl ttice c b c b c b c b c b b c Reciprocl lttice is lws oe of 14 Brvis ttice.

10 Chem 5, UC, Berele spce desit of level: V 8 No-iterctig electros: Puli eclusio priciple Ech wve vector two electroic level spi up/dow Fermi wve vector: F Volume eclosed b the Fermi surfce: 4 F Chem 5, UC, Berele # of llowed sttes withi: 4 F V 8 F 6 V # of electros N: N F V Electroic desit: N V F F 1/ 10

11 Chem 5, UC, Berele Free & idepedet electro groud stte: Fermi wve vector Eclosed Fermi sphere F 1/ Fermi Surfce Fermi Mometum Fermi eerg Fermi velocit p E v F F F F m p F F / m* Chem 5, UC, Berele Estimtio bsed o coductio electro desit: V N 1 4 r s F E F F F m 9 / 4 r s E 1/ F 1.9 r s 50.1eV rs / 0 Rdius of sphere where volume equls to the volume per coductio electro -, for m metl Fermi eerg for metllic elemets: ev Fermi temperture: EF TF 10 K r / B s 0 11

12 Chem 5, UC, Berele Chem 5, UC, Berele Desit of Sttes The umber of orbitls/sttes per uit eerg rge D E dn de E N N m m V V E / / dn V m / D E E de 1/ 1

13 Chem 5, UC, Berele Qutum Cofiemet d Dimesiolit Chem 5, UC, Berele Fermi-Dirc distributio: f E ep[ E 1 E / F B T ] 1 1

14 Chem 5, UC, Berele Chem 5, UC, Berele 14

15 Chem 5, UC, Berele Chem 5, UC, Berele 15

16 Chem 5, UC, Berele Nerl Free Electro Model Addig smll perturbtio b the periodic potetil of the ioic cores E F K F K E m Chem 5, UC, Berele Periodic Boudr Coditio m r r Solutio: trvelig ple wve Aep i Where: E F K F K E m Dispersio Curve 16

17 Chem 5, UC, Berele D Periodic Boudr Coditio Normlitio: Aep i r * dr 1 A ep i rep i r dr A V V: uit cell volume V 1/ ep i r de Broglie wvelegth Chem 5, UC, Berele 17

18 Chem 5, UC, Berele Periodic Potetils d Bloch's Theorem V r V r R R ttice vector Bloch s theorem: the eigesttes of the Hmiltoi bove c be chose to hve the form of ple wve times fuctio with the periodicit of the Brvis ttice. Bloch Wvefuctio: ir e r u r V u r u r R periodic prt of Bloch fuctio Chem 5, UC, Berele Brgg reflectio of electro wves i crstl is the cuse of the eerg gp. First Brgg reflectio: Other gp: 18

19 19 Chem 5, UC, Berele Chem 5, UC, Berele Reciprocl ttice ' d R c b R 1 1 ' R i e ue Coditio Reciprocl lttice vector For ll R i the Brvis ttice ' K ' 1 R ik e

20 Chem 5, UC, Berele For 1D ttice: Reciprocl lttice vector: ' K ' K Diffrctio Coditio: 1 K C be eteded to D Chem 5, UC, Berele Brgg reflectio of electro wves i crstl is the cuse of the eerg gp. First Brgg reflectio: First Brilloui Zoe Other gp: 0

21 Chem 5, UC, Berele 1 st Brilloui Zoe Chem 5, UC, Berele Wiger-Seit cell 1

22 Chem 5, UC, Berele The wvefuctio t re ot trvelig wve of free electros: ep i ep i Isted: equl prts of the wves trvelig to the left d right A wve trvels either to the left or to the right is stdig wve. Chem 5, UC, Berele Two differet stdig wves: ep i ep i cos ep i ep i si Probbilit desit:

23 Chem 5, UC, Berele Pile electro betwee the core ioshigher eerg Pile electro o the core ioslower eerg Chem 5, UC, Berele Eteded oe scheme reduced oe scheme

Chem 253A. Crystal Structure. Chem 253B. Electronic Structure

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