skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on September 4, 2020

Title: Combinatorial Tuning of Structural and Optoelectronic Properties in Cu xZn 1-xS

Abstract

P-type transparent conductors (TCs) are important enabling materials for optoelectronics and photovoltaics, but their performance still lags behind n-type counterparts. Recently, semiconductor Cu xZn 1-xS has demonstrated potential as a p-type TC, but it remains unclear how properties vary with composition. Here, we investigate Cu xZn 1-xS across the entire alloy space (0 = x = 1) using combinatorial sputtering and high-throughput characterization. First, we find a metastable wurtzite alloy at an intermediate composition between cubic endpoint compounds, contrasting with solid solutions or cubic composites (ZnS:Cu yS) from the literature. Second, structural transformations correlate with shifts in hole conductivity and absorption; specifically, conductivity increases at the wurtzite phase transformation (x ≈ 0.19). Third, conductivity and optical transparency are optimized within a 'TC regime' of 0.10 < x < 0.40. This investigation reaffirms Cu xZn 1-xS as a promising, tunable, multifunctional semiconductor alloy, provides new insight into composition-dependent evolution of structure and properties, and informs future research into device applications.

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [3];  [5];  [6]; ORCiD logo [7]
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States); Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. National Renewable Energy Lab. (NREL), Golden, CO (United States); Fudan Univ., Shanghai (China)
  3. Colorado School of Mines, Golden, CO (United States)
  4. National Renewable Energy Lab. (NREL), Golden, CO (United States); Colorado School of Mines, Golden, CO (United States)
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  6. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  7. National Renewable Energy Lab. (NREL), Golden, CO (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1569204
Alternate Identifier(s):
OSTI ID: 1568946
Report Number(s):
NREL/JA-5K00-73042
Journal ID: ISSN 2590-2385
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Accepted Manuscript
Journal Name:
Matter
Additional Journal Information:
Journal Volume: 1; Journal Issue: 4; Journal ID: ISSN 2590-2385
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; combinatorial sputtering; copper zinc sulfide; p-type transparent conductor; structure-property mapping; negative pressure polymorph

Citation Formats

Woods-Robinson, Rachel, Han, Yanbing, Mangum, John, Melamed, Celeste, Gorman, Brian P., Mehta, Apurva, Persson, Kristin A., and Zakutayev, Andriy. Combinatorial Tuning of Structural and Optoelectronic Properties in CuxZn1-xS. United States: N. p., 2019. Web. doi:10.1016/j.matt.2019.06.019.
Woods-Robinson, Rachel, Han, Yanbing, Mangum, John, Melamed, Celeste, Gorman, Brian P., Mehta, Apurva, Persson, Kristin A., & Zakutayev, Andriy. Combinatorial Tuning of Structural and Optoelectronic Properties in CuxZn1-xS. United States. doi:10.1016/j.matt.2019.06.019.
Woods-Robinson, Rachel, Han, Yanbing, Mangum, John, Melamed, Celeste, Gorman, Brian P., Mehta, Apurva, Persson, Kristin A., and Zakutayev, Andriy. Wed . "Combinatorial Tuning of Structural and Optoelectronic Properties in CuxZn1-xS". United States. doi:10.1016/j.matt.2019.06.019.
@article{osti_1569204,
title = {Combinatorial Tuning of Structural and Optoelectronic Properties in CuxZn1-xS},
author = {Woods-Robinson, Rachel and Han, Yanbing and Mangum, John and Melamed, Celeste and Gorman, Brian P. and Mehta, Apurva and Persson, Kristin A. and Zakutayev, Andriy},
abstractNote = {P-type transparent conductors (TCs) are important enabling materials for optoelectronics and photovoltaics, but their performance still lags behind n-type counterparts. Recently, semiconductor CuxZn1-xS has demonstrated potential as a p-type TC, but it remains unclear how properties vary with composition. Here, we investigate CuxZn1-xS across the entire alloy space (0 = x = 1) using combinatorial sputtering and high-throughput characterization. First, we find a metastable wurtzite alloy at an intermediate composition between cubic endpoint compounds, contrasting with solid solutions or cubic composites (ZnS:CuyS) from the literature. Second, structural transformations correlate with shifts in hole conductivity and absorption; specifically, conductivity increases at the wurtzite phase transformation (x ≈ 0.19). Third, conductivity and optical transparency are optimized within a 'TC regime' of 0.10 < x < 0.40. This investigation reaffirms CuxZn1-xS as a promising, tunable, multifunctional semiconductor alloy, provides new insight into composition-dependent evolution of structure and properties, and informs future research into device applications.},
doi = {10.1016/j.matt.2019.06.019},
journal = {Matter},
number = 4,
volume = 1,
place = {United States},
year = {2019},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 4, 2020
Publisher's Version of Record

Save / Share: