Temperature-driven phase transformation in Y3Co: Neutron scattering and first-principles studies / Podlesnyak A.,Ehlers G.,Cao H.,Matsuda M.,Frontzek M.,Zaharko O.,Kazantsev V. A.,Gubkin A. F.,Baranov N. V. // PHYSICAL REVIEW B. - 2013. - V. 88, l. 2.

ISSN/EISSN:

1098-0121 / нет данных

Type:

Article

Abstract:

Contrary to previous studies that identified the ground state crystal structure of the entire R3Co series (R is a rare earth) as orthorhombic Pnma, we show that Y3Co undergoes a structural phase transition at T-t similar or equal to 160 K. Single crystal neutron diffraction data reveal that at Tt the trigonal prisms formed by a cobalt atom and its six nearest-neighbor yttrium atoms experience distortions accompanied by notable changes of the Y-Co distances. The formation of the low-temperature phase is accompanied by a pronounced lattice distortion and anomalies seen in heat capacity and resistivity measurements. Density functional theory calculations reveal a dynamical instability of the Pnma structure of Y3Co. In particular, a transversal acoustic phonon mode along the (00 xi) direction has imaginary frequencies at xi< 1/4. Employing inelastic neutron scattering measurements we find a strong damping of the (00 xi) phonon mode below a critical temperature T-t. The observed structural transformation causes the reduction of dimensionality of electronic bands and decreases the electronic density of states at the Fermi level that identifies Y3Co as a system with the charge density wave instability.

Author keywords:

CRYSTAL STRUCTURE; WAVE; SUPERCONDUCTIVITY; METALS; R3CO

DOI:

10.1103/PhysRevB.88.024117

Web of Science ID:

ISI:000322528600001

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	JUL 26
Publisher	AMER PHYSICAL SOC
Address	ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Language	English
Article-Number	024117
Keywords-Plus	CRYSTAL STRUCTURE; WAVE; SUPERCONDUCTIVITY; METALS; R3CO
Research-Areas	Physics
Web-of-Science-Categories	Physics, Condensed Matter
Author-Email	podlesnyakaa@ornl.gov
ResearcherID-Numbers	Gubkin, Andrey/J-3240-2013 Podlesnyak, Andrey/A-5593-2013 Cao, Huibo/A-6835-2016 Instrument, CNCS/B-4599-2012 Ehlers, Georg/B-5412-2008 Baranov, Nikolai/J-5042-2013 Matsuda, Masaaki/A-6902-2016 Frontzek, Matthias/C-5146-2012 kazantsev, vadim/J-5186-2013
ORCID-Numbers	Gubkin, Andrey/0000-0002-4280-7561 Podlesnyak, Andrey/0000-0001-9366-6319 Cao, Huibo/0000-0002-5970-4980 Ehlers, Georg/0000-0003-3513-508X Baranov, Nikolai/0000-0002-9720-5314 Matsuda, Masaaki/0000-0003-2209-9526 Frontzek, Matthias/0000-0001-8704-8928 kazantsev, vadim/0000-0003-2407-6280
Funding-Acknowledgement	Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy (DOE); Office of Science of the US Department of Energy {[}DE-AC02-05CH11231]; Ural Branch of RAS {[}12-T-2-1012]; Ministry of Education and Science of the Russian Federation {[}14.518.11.7020]
Funding-Text	The research at Oak Ridge National Laboratory's High Flux Isotope Reactor and Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy (DOE). This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. This work was partly supported by the program of the Ural Branch of RAS (Project No. 12-T-2-1012) and by the Ministry of Education and Science of the Russian Federation (Contract No. 14.518.11.7020).
Number-of-Cited-References	31
Usage-Count-Last-180-days	2
Usage-Count-Since-2013	18
Journal-ISO	Phys. Rev. B
Doc-Delivery-Number	193AH