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Raman tensor calculated from the 2n+1 theorem in density-functional theory

Deinzer, Gernot and Strauch, Dieter (2002) Raman tensor calculated from the 2n+1 theorem in density-functional theory. Physical Review B 66 (10), p. 100301.

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Other URL: http://prola.aps.org/abstract/PRB/v66/i10/e100301


Abstract

In this work we present a method to determine the Raman coefficients of tetrahedrally bonded semiconductors directly in density-functional theory. For this purpose we apply the 2n+1 theorem to derive an analytical expression for the Raman tensor. To the best of our knowledge, this is the first ab initio application of the 2n+1 theorem involving mixed third-order derivatives of the total energy in ...

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Item type:Article
Date:6 September 2002
Institutions:Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Dieter Strauch
Identification Number:
ValueType
10.1103/PhysRevB.66.100301DOI
Classification:
NotationType
71.15.MbPACS
78.30.FsPACS
Keywords:Raman tensor
Dewey Decimal Classification:500 Science > 530 Physics
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:1223
Owner only: item control page

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