Pseudopotential methods in condensed matter applications

WE Pickett - Computer Physics Reports, 1989 - Elsevier
The generalization from empirically determined screened pseudopotentials to self-
consistently screened ab initio pseudopotentials had led to widespread use of the method in …

The electronic structure of impurities and other point defects in semiconductors

ST Pantelides - Reviews of Modern Physics, 1978 - APS
A review is presented of the various theoretical methods that have thus far been developed
for the study of states introduced by impurities and other point defects in semiconductors …

Screening and many-body effects in two-dimensional crystals: Monolayer

DY Qiu, FH Da Jornada, SG Louie - Physical Review B, 2016 - APS
We present a systematic study of the variables affecting the electronic and optical properties
of two-dimensional (2D) crystals within ab initio GW and GW plus Bethe-Salpeter equation …

Norm-conserving pseudopotentials

DR Hamann, M Schlüter, C Chiang - Physical review letters, 1979 - APS
A very simple procedure to extract pseudopotentials from ab initio atomic calculations is
presented. The pseudopotentials yield exact eigenvalues and nodeless eigenfunctions …

Pseudopotentials that work: From H to Pu

GB Bachelet, DR Hamann, M Schlüter - Physical Review B, 1982 - APS
Recent developments have enabled pseudopotential methods to reproduce accurately the
results of all-electron calculations for the self-consistent electronic structure of atoms …

[LLIBRE][B] The physics of phonons

GP Srivastava - 2022 - taylorfrancis.com
This fully updated second edition of The Physics of Phonons remains the most
comprehensive theoretical discussion devoted to the study of phonons, a major area of …

[LLIBRE][B] Semiconductor surfaces and interfaces

W Mönch - 2013 - books.google.com
Semiconductor Surfaces and Interfaces deals with structural and electronic properties of
semiconductor surfaces and interfaces. The first part introduces the general aspects of …

Semiempirical modified embedded-atom potentials for silicon and germanium

MI Baskes, JS Nelson, AF Wright - Physical Review B, 1989 - APS
Semiempirical potentials for silicon, germanium, and their alloys are derived with use of the
modified-embedded-atom-method formalism. Following Baskes [Phys. Rev. Lett. 59, 2666 …

States in the gap and recombination in amorphous semiconductors

NF Mott, EA Davis, RA Street - Philosophical Magazine, 1975 - Taylor & Francis
The paper examines states in the gap in amorphous silicon and chalcogenides and their
effect on photoconductivity, luminescence and drift mobility. It is supposed that carriers in an …

The structure and properties of metal-semiconductor interfaces

LJ Brillson - Surface Science Reports, 1982 - Elsevier
In this review, we examine the contributions of surface science research to the
understanding of metal-semiconductor interfaces. In particular, we survey conventional …