Optical absorption and band gap reduction in (Fe1- XCr x)2O3 solid solutions: A first-principles study

Journal of Physical Chemistry C

Volumn 117, Issue 48, 2013, Pages 25504-25512

  Wang, Yong ^a   Lopata, Kenneth ^b   Chambers, Scott A ^a   Govind, Niranjan ^b   Sushko, Peter V ^c  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BAND GAP REDUCTION; D-D EXCITATIONS; EMBEDDED CLUSTER CALCULATIONS; FIRST-PRINCIPLES STUDY; PERIODIC MODELS; PHOTON ENERGY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VALENCE BAND EDGES;

CALCULATIONS; LIGHT ABSORPTION; SOLID SOLUTIONS;

ENERGY GAP;

EID: 84890373999     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp407496w     Document Type: Article

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