Chen, Grace P., Bykova, Elena, Bykov, Maxim ORCID: 0000-0003-0248-1728, Edmund, Eric, Cao, Zi-Yu, Chen, Xiao-Jia, Smith, Jesse S., Chariton, Stella, Prakapenka, Vitali B. and Goncharov, Alexander F. (2022). Structural and vibrational behavior of 2H-NbSe2 at high pressures. Phys. Rev. B, 105 (22). COLLEGE PK: AMER PHYSICAL SOC. ISSN 2469-9969

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Abstract

The high-pressure structural and vibrational properties of a layered transition metal dichalcogenide 2H-NbSe2 were investigated using single-crystal x-ray diffraction and Raman spectroscopy, demonstrating its structural stability up to 35 GPa. The lattice compressibility changes character from being highly anisotropic at low pres-sures to largely isotropic at high pressures. Concomitantly, the interatomic bonds demonstrate highly anisotropic compression behavior with the Se-Se interlayer bonds compressing by >20%, while the intramolecular Se-Se distance shows a nonmonotonic pressure dependence with a maximum at-12 GPa. The nearest-neighbor central force lattice vibrational model yields pressure dependencies of the interatomic forces in qualitative agreement with bond length compression, providing insight into the vibrational properties of 2H-NbSe2 at high pressures.

Item Type: Journal Article
Creators:
CreatorsEmailORCIDORCID Put Code
Chen, Grace P.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Bykova, ElenaUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Bykov, MaximUNSPECIFIEDorcid.org/0000-0003-0248-1728UNSPECIFIED
Edmund, EricUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Cao, Zi-YuUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Chen, Xiao-JiaUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Smith, Jesse S.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Chariton, StellaUNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Prakapenka, Vitali B.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
Goncharov, Alexander F.UNSPECIFIEDUNSPECIFIEDUNSPECIFIED
URN: urn:nbn:de:hbz:38-688644
DOI: 10.1103/PhysRevB.105.224114
Journal or Publication Title: Phys. Rev. B
Volume: 105
Number: 22
Date: 2022
Publisher: AMER PHYSICAL SOC
Place of Publication: COLLEGE PK
ISSN: 2469-9969
Language: English
Faculty: Unspecified
Divisions: Unspecified
Subjects: no entry
Uncontrolled Keywords:
KeywordsLanguage
CHARGE-DENSITY WAVES; SUPERCONDUCTIVITYMultiple languages
Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed MatterMultiple languages
URI: http://kups.ub.uni-koeln.de/id/eprint/68864

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