Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure

Tian, Jianjun; Ivanovski, Valentin N.; Szalda, David; Lei, Hechang; Wang, Aifeng; Liu, Yu; Zhang, Weifeng; Koteski, Vasil J.; Petrović, Čedomir

doi:10.1021/acs.inorgchem.8b03089

Authorized Users Only

2019

Authors

Tian, Jianjun

Ivanovski, Valentin N.

Szalda, David
Lei, Hechang

Wang, Aifeng
Liu, Yu

Zhang, Weifeng
Koteski, Vasil J.

Petrović, Čedomir

Article (Published version)

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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. © 2019 American Chemical Society.

Source:
Inorganic Chemistry, 2019, 58, 5, 3107-3114

Funding / projects:

U.S. DOE-BES, Division of Materials Science and Engineering [DE-SC0012704]
Investigation of intermetallics and semiconductors and possible application in renewable energy sources (RS-171001)
Ministry of Science and Technology of China [2016YFA0300504]
National Natural Science Foundation of China [11574394]
National Natural Science Foundation of China [11774423]
National Natural Science Foundation of China [11822412]

DOI: 10.1021/acs.inorgchem.8b03089

ISSN: 0020-1669; 1520-510X

PubMed: 30777749

WoS: 000460600300024

Scopus: 2-s2.0-85062347337

[ Google Scholar ]


	3
	2

TY  - JOUR
AU  - Tian, Jianjun
AU  - Ivanovski, Valentin N.
AU  - Szalda, David
AU  - Lei, Hechang
AU  - Wang, Aifeng
AU  - Liu, Yu
AU  - Zhang, Weifeng
AU  - Koteski, Vasil J.
AU  - Petrović, Čedomir
PY  - 2019
UR  - http://pubs.acs.org/doi/10.1021/acs.inorgchem.8b03089
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8082
AB  - 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. © 2019 American Chemical Society.
T2  - Inorganic Chemistry
T1  - Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure
VL  - 58
IS  - 5
SP  - 3107
EP  - 3114
DO  - 10.1021/acs.inorgchem.8b03089
ER  -

@article{
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 J. and Petrović, Čedomir",
year = "2019",
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. © 2019 American Chemical Society.",
journal = "Inorganic Chemistry",
title = "Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure",
volume = "58",
number = "5",
pages = "3107-3114",
doi = "10.1021/acs.inorgchem.8b03089"
}

Tian, J., Ivanovski, V. N., Szalda, D., Lei, H., Wang, A., Liu, Y., Zhang, W., Koteski, V. J.,& Petrović, Č.. (2019). Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure. in Inorganic Chemistry, 58(5), 3107-3114.
https://doi.org/10.1021/acs.inorgchem.8b03089

Tian J, Ivanovski VN, Szalda D, Lei H, Wang A, Liu Y, Zhang W, Koteski VJ, Petrović Č. Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure. in Inorganic Chemistry. 2019;58(5):3107-3114.
doi:10.1021/acs.inorgchem.8b03089 .

Tian, Jianjun, Ivanovski, Valentin N., Szalda, David, Lei, Hechang, Wang, Aifeng, Liu, Yu, Zhang, Weifeng, Koteski, Vasil J., Petrović, Čedomir, "Fe0.36(4)Pd 0.64(4)Se 2 : Magnetic Spin-Glass Polymorph of FeSe2 and PdSe2 Stable at Ambient Pressure" in Inorganic Chemistry, 58, no. 5 (2019):3107-3114,
https://doi.org/10.1021/acs.inorgchem.8b03089 . .