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Document Details
Document Type
:
Article In Journal
Document Title
:
Effect of effective mass and spontaneous polarization on photocatalytic activity of wurtzite and zinc-blende ZnS
Effect of effective mass and spontaneous polarization on photocatalytic activity of wurtzite and zinc-blende ZnS
Subject
:
physics
Document Language
:
English
Abstract
:
Semiconductor zinc sulphide (ZnS) has two common phases: hexagonal wurtzite and cubic zinc-blende structures. The crystal structures, energy band structures, density of states (DOS), bond populations, and optical properties of wurtzite and zinc-blende ZnS were investigated by the density functional theory of first-principles. The similar band gaps and DOS of wurtzite and zinc-blende ZnS were found and implied the similarities in crystal structures. However, the distortion of ZnS4 tetrahedron in wurtzite ZnS resulted in the production of spontaneous polarization and internal electric field, which was beneficial for the transfer and separation of photogenerated electrons and holes
ISSN
:
2166-532X
Journal Name
:
APL MATERIALS
Volume
:
3
Issue Number
:
10
Publishing Year
:
1435 AH
2015 AD
Article Type
:
Article
Added Date
:
Thursday, August 17, 2017
Researchers
Researcher Name (Arabic)
Researcher Name (English)
Researcher Type
Dr Grade
Email
M Dong
Dong, M
Investigator
Doctorate
J Zhang
Zhang, J
Researcher
Doctorate
J Yu
Yu, J
Researcher
Doctorate
jiaguoyu@yahoo.com
Files
File Name
Type
Description
42664.pdf
pdf
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