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 February 19, 2020

Title: 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:
 [1];  [2];  [3];  [4];  [5]; ORCiD logo [5];  [6]; ORCiD logo [7]; ORCiD logo [5]
  1. 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
  2. Univ. of Belgrade, Belgrade (Serbia). Vinca Inst. of Nuclear Sciences
  3. City Univ. (CUNY), NY (United States). Baruch College, Dept. of Natural Science
  4. Renmin Univ. of China, Beijing (China). Dept. of Physics and Beijing Key Lab. of Opto-electronic Functional Materials & Micro-nano Devices
  5. Brookhaven National Lab. (BNL), Upton, NY (United States). Condensed Matter Physics, Materials Science Dept.
  6. Henan Univ., Kaifeng (China). Henan Key Lab. of Photovoltaic Materials and School of Physics & Electronics
  7. 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:
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. doi: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. doi:10.1021/acs.inorgchem.8b03089.
@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},
journal = {Inorganic Chemistry},
number = 5,
volume = 58,
place = {United States},
year = {2019},
month = {2}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on February 19, 2020
Publisher's Version of Record

Save / Share: