Pt-rich intermetallic APt8P2 (A = Ca and La)

Xin Gui; Zuzanna Sobczak; Tomasz Klimczuk; Weiwei Xie

doi:https://doi.org/10.1016/j.jallcom.2019.05.239

Pt-rich intermetallic APt₈P₂ (A = Ca and La)

Xin Gui, Zuzanna Sobczak, Tomasz Klimczuk, Weiwei Xie

Research output: Contribution to journal › Article › peer-review

Abstract

The combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt₈P₂ (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt₈P₂ was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt₈P₂ crystallize in the monoclinic DyPt₈P₂-type structure with space group I2/m (S.G. 12). Crystal structure of APt₈P₂ can be considered as intercalating multiple Pt layers into APt₂P₂. Magnetic susceptibility measurement indicates diamagnetism of both compounds. The specific heat down to 1.8 K shows no evidence for bulk superconductivity in either CaPt₈P₂ and LaPt₈P₂. Electronic structure calculations match well with the observed structural stability and metallic behavior. The following Crystal Orbital Hamiltonian Population (-COHP) calculations suggest that the difference of Pt-Pt antibonding interaction could be the key factor that results in the shrinkage of c axis in APt₈P₂.

Original language	English (US)
Pages (from-to)	53-58
Number of pages	6
Journal	Journal of Alloys and Compounds
Volume	798
DOIs	https://doi.org/10.1016/j.jallcom.2019.05.239
State	Published - Aug 25 2019
Externally published	Yes

ASJC Scopus subject areas

Mechanics of Materials
Mechanical Engineering
Metals and Alloys
Materials Chemistry

Keywords

Bonding analysis
CaPtP
Heat capacity
LaPtP
Solid-state synthesis

Access to Document

https://doi.org/10.1016/j.jallcom.2019.05.239

Cite this

@article{300d693fc86d430d90d7aeb6d996f367,

title = "Pt-rich intermetallic APt8P2 (A = Ca and La)",

abstract = "The combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize in the monoclinic DyPt8P2-type structure with space group I2/m (S.G. 12). Crystal structure of APt8P2 can be considered as intercalating multiple Pt layers into APt2P2. Magnetic susceptibility measurement indicates diamagnetism of both compounds. The specific heat down to 1.8 K shows no evidence for bulk superconductivity in either CaPt8P2 and LaPt8P2. Electronic structure calculations match well with the observed structural stability and metallic behavior. The following Crystal Orbital Hamiltonian Population (-COHP) calculations suggest that the difference of Pt-Pt antibonding interaction could be the key factor that results in the shrinkage of c axis in APt8P2.",

keywords = "Bonding analysis, CaPtP, Heat capacity, LaPtP, Solid-state synthesis",

author = "Xin Gui and Zuzanna Sobczak and Tomasz Klimczuk and Weiwei Xie",

note = "Funding Information: This research at Department of Chemistry, LSU was supported by Beckman Young Investigator (BYI) Award. X.G. is supported by the National Science Foundation under NSF-OIA-1832967. TK and ZS gratefully acknowledge the financial support from National Science Centre (Poland), Grant No. UMO-2015/19/B/ST3/03127. Funding Information: This research at Department of Chemistry, LSU was supported by Beckman Young Investigator (BYI) Award . X.G. is supported by the National Science Foundation under NSF-OIA-1832967 . TK and ZS gratefully acknowledge the financial support from National Science Centre (Poland) , Grant No. UMO-2015/19/B/ST3/03127 .",

year = "2019",

month = aug,

day = "25",

doi = "https://doi.org/10.1016/j.jallcom.2019.05.239",

language = "English (US)",

volume = "798",

pages = "53--58",

journal = "Journal of The Less-Common Metals",

issn = "0022-5088",

publisher = "Elsevier BV",

}

TY - JOUR

T1 - Pt-rich intermetallic APt8P2 (A = Ca and La)

AU - Gui, Xin

AU - Sobczak, Zuzanna

AU - Klimczuk, Tomasz

AU - Xie, Weiwei

N1 - Funding Information: This research at Department of Chemistry, LSU was supported by Beckman Young Investigator (BYI) Award. X.G. is supported by the National Science Foundation under NSF-OIA-1832967. TK and ZS gratefully acknowledge the financial support from National Science Centre (Poland), Grant No. UMO-2015/19/B/ST3/03127. Funding Information: This research at Department of Chemistry, LSU was supported by Beckman Young Investigator (BYI) Award . X.G. is supported by the National Science Foundation under NSF-OIA-1832967 . TK and ZS gratefully acknowledge the financial support from National Science Centre (Poland) , Grant No. UMO-2015/19/B/ST3/03127 .

PY - 2019/8/25

Y1 - 2019/8/25

N2 - The combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize in the monoclinic DyPt8P2-type structure with space group I2/m (S.G. 12). Crystal structure of APt8P2 can be considered as intercalating multiple Pt layers into APt2P2. Magnetic susceptibility measurement indicates diamagnetism of both compounds. The specific heat down to 1.8 K shows no evidence for bulk superconductivity in either CaPt8P2 and LaPt8P2. Electronic structure calculations match well with the observed structural stability and metallic behavior. The following Crystal Orbital Hamiltonian Population (-COHP) calculations suggest that the difference of Pt-Pt antibonding interaction could be the key factor that results in the shrinkage of c axis in APt8P2.

AB - The combination of experimental and theoretical investigation of two new Pt-rich intermetallic compounds: APt8P2 (A = Ca and La) is presented, including solid-state synthesis, crystal structure determination, physical properties characterization and chemical bonding analysis. APt8P2 was obtained through the high-temperature pellet synthesis. According to both single crystal and powder X-ray diffraction results, APt8P2 crystallize in the monoclinic DyPt8P2-type structure with space group I2/m (S.G. 12). Crystal structure of APt8P2 can be considered as intercalating multiple Pt layers into APt2P2. Magnetic susceptibility measurement indicates diamagnetism of both compounds. The specific heat down to 1.8 K shows no evidence for bulk superconductivity in either CaPt8P2 and LaPt8P2. Electronic structure calculations match well with the observed structural stability and metallic behavior. The following Crystal Orbital Hamiltonian Population (-COHP) calculations suggest that the difference of Pt-Pt antibonding interaction could be the key factor that results in the shrinkage of c axis in APt8P2.

KW - Bonding analysis

KW - CaPtP

KW - Heat capacity

KW - LaPtP

KW - Solid-state synthesis

UR - http://www.scopus.com/inward/record.url?scp=85066288908&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85066288908&partnerID=8YFLogxK

U2 - https://doi.org/10.1016/j.jallcom.2019.05.239

DO - https://doi.org/10.1016/j.jallcom.2019.05.239

M3 - Article

VL - 798

SP - 53

EP - 58

JO - Journal of The Less-Common Metals

JF - Journal of The Less-Common Metals

SN - 0022-5088

ER -