Published May 6, 2016 | Version v1
Journal article Metadata-only

Energy band gap and spectroscopic studies in Mn1-xCuxWO4 (0 ≤ x ≤ 0.125)

Creators

  • 1. Department of Pure and Applied Physics, Guru Ghasidas Vishwavidyalaya, Bilaspur - 495009 (C.G.) (India)
  • 2. High Pressure and Synchrotron Radiation Physics Division, Bhabha Atomic Research Centre Trombay, Mubai- 40008 (India)
  • 3. Variable Energy Cyclotron Centre, 1/AF Bidhannagar, Kolkata 700064 (India)

Description

A study on the effect of nonmagnetic Cu2+ substitution at Mn2+ site on the structural and energy band gap of the MnWO4 is reported. Convenient solid state reaction route has been adopted for the synthesis of Mn1-xCuxWO4. X-ray diffraction (XRD) pattern showed high crystalline quality of the prepared samples. Raman spectroscopic studies were carried out to understand the structural aspects of the doping. 15 Raman active modes were identified out of 18, predicted for wolframite type monoclinic structure of MnWO4. UV-visible diffuse reflectance spectra were recorded and analyzed to get energy band gap of the studied system and are found in the range of 2.5 eV to 2.04 eV with a systematic decrease with the increase in Cu2+ concentration. Energy band gap values are verified by Density Functional Theory calculations based on projector augmented wave (PAW) method. The calculated values are in good agreement with the experimental data.

Additional details

Identifiers

DOI
10.1063/1.4946374;

Publishing Information

Journal Title
AIP Conference Proceedings
Journal Volume
1728
Journal Issue
1
Journal Page Range
vp.
ISSN
0094-243X
CODEN
APCPCS

Conference

Title
International conference on condensed matter and applied physics
Acronym
ICC 2015
Dates
30-31 Oct 2015
Place
Bikaner (India)

INIS

Country of Publication
United States
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
48052169
Subject category
S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
Resource subtype / Literary indicator
Conference
Descriptors DEI
COMPUTERIZED SIMULATION; CONCENTRATION RATIO; COPPER ADDITIONS; DENSITY; DENSITY FUNCTIONAL METHOD; ENERGY GAP; MANGANESE IONS; MANGANESE TUNGSTATES; MONOCLINIC LATTICES; SOLIDS; SPECTRA; SYNTHESIS; WOLFRAMITE; X RADIATION; X-RAY DIFFRACTION
Descriptors DEC
ALLOYS; CALCULATION METHODS; CHARGED PARTICLES; COHERENT SCATTERING; COPPER ALLOYS; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DIFFRACTION; DIMENSIONLESS NUMBERS; ELECTROMAGNETIC RADIATION; IONIZING RADIATIONS; IONS; MANGANESE COMPOUNDS; MINERALS; OXIDE MINERALS; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; RADIATIONS; REFRACTORY METAL COMPOUNDS; SCATTERING; SIMULATION; THREE-DIMENSIONAL LATTICES; TRANSITION ELEMENT ALLOYS; TRANSITION ELEMENT COMPOUNDS; TUNGSTATES; TUNGSTEN COMPOUNDS; VARIATIONAL METHODS

Optional Information

Notes
(c) 2016 Author(s)