Fe 0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe 2 and PdSe 2 Stable at Ambient Pressure
Abstract
We report the synthesis and characterization of Fe 0.36(4)Pd 0.64(4)Se 2 with a pyrite-type structure. Fe 0.36(4)Pd 0.64(4)Se 2 was synthesized using ambient pressure flux crystal growth methods even though the space group Pa3 is high-pressure polymorph for both FeSe 2 and PdSe 2. Combined experimental and theoretical analysis reveal magnetic spin glass state below 23 K in 1000 Oe that stems from random Fe/Pd occupancies on the same atomic site. The frozen-in magnetic randomness contributes significantly to electronic transport. Electronic structure calculations confirm dominant d-electron character of hybridized bands and large density of states near the Fermi level. Flux-grown single crystal alloys in Pd–Fe–Se atomic system therefore open new pathway for exploring different polymorphs in crystal structures and their novel properties.
- Authors:
-
- Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics, Materials Science Dept.; Henan Univ., Kaifeng (China). Henan Key Lab. of Photovoltaic Materials and School of Physics & Electronics
- Univ. of Belgrade, Belgrade (Serbia). Vinca Inst. of Nuclear Sciences
- City Univ. (CUNY), NY (United States). Baruch College, Dept. of Natural Science
- Renmin Univ. of China, Beijing (China). Dept. of Physics and Beijing Key Lab. of Opto-electronic Functional Materials & Micro-nano Devices
- Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics, Materials Science Dept.
- Henan Univ., Kaifeng (China). Henan Key Lab. of Photovoltaic Materials and School of Physics & Electronics
- Univ. of Belgrade, Belgrade (Serbia). Vinca Inst. of Nuclear Sciences
- Publication Date:
- Research Org.:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- OSTI Identifier:
- 1504374
- Report Number(s):
- BNL-211489-2019-JAAM
Journal ID: ISSN 0020-1669
- Grant/Contract Number:
- SC0012704
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Inorganic Chemistry
- Additional Journal Information:
- Journal Volume: 58; Journal Issue: 5; Journal ID: ISSN 0020-1669
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Tian, Jianjun, Ivanovski, Valentin N., Szalda, David, Lei, Hechang, Wang, Aifeng, Liu, Yu, Zhang, Weifeng, Koteski, Vasil, and Petrovic, Cedomir. Fe0.36(4)Pd0.64(4)Se2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure. United States: N. p., 2019.
Web. doi:10.1021/acs.inorgchem.8b03089.
Tian, Jianjun, Ivanovski, Valentin N., Szalda, David, Lei, Hechang, Wang, Aifeng, Liu, Yu, Zhang, Weifeng, Koteski, Vasil, & Petrovic, Cedomir. Fe0.36(4)Pd0.64(4)Se2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure. United States. https://doi.org/10.1021/acs.inorgchem.8b03089
Tian, Jianjun, Ivanovski, Valentin N., Szalda, David, Lei, Hechang, Wang, Aifeng, Liu, Yu, Zhang, Weifeng, Koteski, Vasil, and Petrovic, Cedomir. Tue .
"Fe0.36(4)Pd0.64(4)Se2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure". United States. https://doi.org/10.1021/acs.inorgchem.8b03089. https://www.osti.gov/servlets/purl/1504374.
@article{osti_1504374,
title = {Fe0.36(4)Pd0.64(4)Se2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure},
author = {Tian, Jianjun and Ivanovski, Valentin N. and Szalda, David and Lei, Hechang and Wang, Aifeng and Liu, Yu and Zhang, Weifeng and Koteski, Vasil and Petrovic, Cedomir},
abstractNote = {We report the synthesis and characterization of Fe0.36(4)Pd0.64(4)Se2 with a pyrite-type structure. Fe0.36(4)Pd0.64(4)Se2 was synthesized using ambient pressure flux crystal growth methods even though the space group Pa3 is high-pressure polymorph for both FeSe2 and PdSe2. Combined experimental and theoretical analysis reveal magnetic spin glass state below 23 K in 1000 Oe that stems from random Fe/Pd occupancies on the same atomic site. The frozen-in magnetic randomness contributes significantly to electronic transport. Electronic structure calculations confirm dominant d-electron character of hybridized bands and large density of states near the Fermi level. Flux-grown single crystal alloys in Pd–Fe–Se atomic system therefore open new pathway for exploring different polymorphs in crystal structures and their novel properties.},
doi = {10.1021/acs.inorgchem.8b03089},
url = {https://www.osti.gov/biblio/1504374},
journal = {Inorganic Chemistry},
issn = {0020-1669},
number = 5,
volume = 58,
place = {United States},
year = {2019},
month = {2}
}
Works referencing / citing this record:
CSD 1878916: Experimental Crystal Structure Determination
dataset, January 2019
- Tian, Jianjun; Ivanovski, Valentin N.; Szalda, David
- FIZ Karlsruhe – Leibniz Institute for Information Infrastructure