Advanced calculations for defects in materials : electronic structure methods / edited by Audrius Alkauskas ...[and others].

Format:

Book

Contributor:

Alkauskas, Audrius, editor.

Language:

English

Subjects (All):

Materials--Testing--Mathematical models.

Materials.

Semiconductors--Materials--Testing.

Semiconductors.

Semiconductors--Materials.

Testing.

Materials--Testing.

Physical Description:

xviii, 384 pages : illustrations ; 25 cm

Place of Publication:

Weinheim : Wiley-VCH, [2011]

Summary:

Physicists, materials scientists, and other contributors describe a number of approaches to detecting and characterizing defects in materials now possible because of greater computing power. Among the topics are the accuracy of quantum Monte Carlo methods for point defects in solids, accurate gap levels and their role in the reliability of other calculated defect properties, predicting polaronic defect states by means of generalized Koopmans density functional calculations, a time-dependent density functional study on the excitation spectrum of point defects in semiconductors, and criteria for selecting which electronic structure method to use. Annotation ©2012 Book News, Inc., Portland, OR (booknews.com)

Notes:

Includes bibliographic references and index.

ISBN:

3527410244

9783527410248

OCLC:

682895142