The second Chapter of this thesis is mainly devoted to a re\-iew of the dynamical charge concept in solid state physics. In Chapter 3 we briefly discuss the theoretical tools used in this work, namely density functional theory and density functional perturbation theory. Chapter 4 provides an extension of the dynamical charge neutrality condition to the case of a crystalline surface, which gives rise to a novel formulation for the acoustic sum rule. Our results concerning the Schottky barrier height calculation for the Al/GaAs(OOl) junction are presented in Chapter .5, while Chapter 6 is dernted to a detailed description of the morphology induced variations of the Schottky barrier, and a rationale for the results is given in terms of the dynamical charges. In Chapter 7 we present a study of the electronic states at the interface, of their decay length within the semiconductor, of their robustness under metal deposition and semiconductor ionicity. Finally, the last Chapter is devoted to our conclusions.

Dynamical Charges at Surfaces and Interfaces: their Role in the Schottky Barrier Problem(1997 Oct 24).

Dynamical Charges at Surfaces and Interfaces: their Role in the Schottky Barrier Problem

-
1997-10-24

Abstract

The second Chapter of this thesis is mainly devoted to a re\-iew of the dynamical charge concept in solid state physics. In Chapter 3 we briefly discuss the theoretical tools used in this work, namely density functional theory and density functional perturbation theory. Chapter 4 provides an extension of the dynamical charge neutrality condition to the case of a crystalline surface, which gives rise to a novel formulation for the acoustic sum rule. Our results concerning the Schottky barrier height calculation for the Al/GaAs(OOl) junction are presented in Chapter .5, while Chapter 6 is dernted to a detailed description of the morphology induced variations of the Schottky barrier, and a rationale for the results is given in terms of the dynamical charges. In Chapter 7 we present a study of the electronic states at the interface, of their decay length within the semiconductor, of their robustness under metal deposition and semiconductor ionicity. Finally, the last Chapter is devoted to our conclusions.
Ruini, Alice
Baroni, Stefano
Resta, Raffaele
File in questo prodotto:
File Dimensione Formato  
1963_5636_PhD_Ruini_Alice.pdf

accesso aperto

Tipologia: Tesi
Licenza: Non specificato
Dimensione 10.08 MB
Formato Adobe PDF
10.08 MB Adobe PDF Visualizza/Apri

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/20.500.11767/4467
 Attenzione

Attenzione! I dati visualizzati non sono stati sottoposti a validazione da parte dell'ateneo

Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus ND
  • ???jsp.display-item.citation.isi??? ND
social impact