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Title: Growth and characterization of BaZnGa

In this paper, we report the growth, structure and characterization of BaZnGa, identifying it as the sole known ternary compound in the Ba–Zn–Ga system. Single crystals of BaZnGa can be grown out of excess Ba–Zn and adopt a tI36 structure type. There are three unique Ba sites and three M = Zn/Ga sites. Using DFT calculations we can argue that whereas one of these three M sites is probably solely occupied by Ga, the other two M sites, most likely, have mixed Zn/Ga occupancy. Finally, temperature-dependent resistivity and magnetization measurements suggest that BaZnGa is a poor metal with no electronic or magnetic phase transitions between 1.8 and 300 K.
Authors:
 [1] ;  [2] ; ORCiD logo [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1] ;  [1] ; ORCiD logo [1] ;  [1] ;  [1] ;  [1] ; ORCiD logo [1] ;  [1]
  1. Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Physics and Astronomy
  2. Ames Lab. and Iowa State Univ., Ames, IA (United States). Dept. of Chemistry
Publication Date:
Report Number(s):
IS-J-9477
Journal ID: ISSN 1478-6435; TRN: US1703278
Grant/Contract Number:
AC02-07CH11358; GBMF4411
Type:
Accepted Manuscript
Journal Name:
Philosophical Magazine (2003, Print)
Additional Journal Information:
Journal Name: Philosophical Magazine (2003, Print); Journal Volume: 97; Journal Issue: 35; Journal ID: ISSN 1478-6435
Publisher:
Taylor & Francis
Research Org:
Ames Lab. and Iowa State Univ., Ames, IA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); Gordon and Betty Moore Foundation (United States)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; material discovery; crystal growth; crystal structure; density functional theory; physical properties
OSTI Identifier:
1407485

Jo, Na Hyun, Lin, Qisheng, Nguyen, Manh Cuong, Kaluarachchi, Udhara S., Meier, William R., Manni, Soham, Downing, Savannah S., Böhmer, Anna E., Kong, Tai, Sun, Yang, Taufour, Valentin, Wang, Cai-Zhuang, Ho, Kai-Ming, Bud’ko, Sergey L., and Canfield, Paul C.. Growth and characterization of BaZnGa. United States: N. p., Web. doi:10.1080/14786435.2017.1380861.
Jo, Na Hyun, Lin, Qisheng, Nguyen, Manh Cuong, Kaluarachchi, Udhara S., Meier, William R., Manni, Soham, Downing, Savannah S., Böhmer, Anna E., Kong, Tai, Sun, Yang, Taufour, Valentin, Wang, Cai-Zhuang, Ho, Kai-Ming, Bud’ko, Sergey L., & Canfield, Paul C.. Growth and characterization of BaZnGa. United States. doi:10.1080/14786435.2017.1380861.
Jo, Na Hyun, Lin, Qisheng, Nguyen, Manh Cuong, Kaluarachchi, Udhara S., Meier, William R., Manni, Soham, Downing, Savannah S., Böhmer, Anna E., Kong, Tai, Sun, Yang, Taufour, Valentin, Wang, Cai-Zhuang, Ho, Kai-Ming, Bud’ko, Sergey L., and Canfield, Paul C.. 2017. "Growth and characterization of BaZnGa". United States. doi:10.1080/14786435.2017.1380861. https://www.osti.gov/servlets/purl/1407485.
@article{osti_1407485,
title = {Growth and characterization of BaZnGa},
author = {Jo, Na Hyun and Lin, Qisheng and Nguyen, Manh Cuong and Kaluarachchi, Udhara S. and Meier, William R. and Manni, Soham and Downing, Savannah S. and Böhmer, Anna E. and Kong, Tai and Sun, Yang and Taufour, Valentin and Wang, Cai-Zhuang and Ho, Kai-Ming and Bud’ko, Sergey L. and Canfield, Paul C.},
abstractNote = {In this paper, we report the growth, structure and characterization of BaZnGa, identifying it as the sole known ternary compound in the Ba–Zn–Ga system. Single crystals of BaZnGa can be grown out of excess Ba–Zn and adopt a tI36 structure type. There are three unique Ba sites and three M = Zn/Ga sites. Using DFT calculations we can argue that whereas one of these three M sites is probably solely occupied by Ga, the other two M sites, most likely, have mixed Zn/Ga occupancy. Finally, temperature-dependent resistivity and magnetization measurements suggest that BaZnGa is a poor metal with no electronic or magnetic phase transitions between 1.8 and 300 K.},
doi = {10.1080/14786435.2017.1380861},
journal = {Philosophical Magazine (2003, Print)},
number = 35,
volume = 97,
place = {United States},
year = {2017},
month = {10}
}

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