Structure of the layer compound ZrSiTe

Bensch, Wolfgang; Dürichen, Peter

doi:10.1107/s0108270193008303

Cited by 12 publications

(6 citation statements)

References 2 publications

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“…ZrSiTe has a crystalline structure in the tetragonal PbFCl type (P4/ nmm space group No. 129) 4,5,9,30 . In the lattice of ZrSiTe, double layers of Zr-Te are separated by a layer of a Si square net.…”

Section: Resultsmentioning

confidence: 99%

“…These loops are protected by the nonsymmorphic symmetry [1][2][3] , and the electronic states along the nodal lines are topologically nontrivial. The crystalline and band structures of ZrSiX have been studied by means of X-ray diffraction 4 and angle resolved photoemission spectroscopy (ARPES) [5][6][7] . The unique band structure of ZrSiX leads to various interesting physical properties, e.g., chiral anomaly, extremely large magnetoresistance, high-carrier mobility with high-carrier density, etc 5,8 .…”

Section: Introductionmentioning

confidence: 99%

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Raman detection of hidden phonons assisted by atomic point defects in a two-dimensional semimetal

et al. 2019

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Defects usually have an important role in tailoring various properties of two-dimensional (2D) materials. However, optical detection of defects, especially single-atom point defects, is very challenging in 2D layers. Here, we report our systematic studies on the Raman-activated defect vibrational modes in 2D semimetallic material by combining Raman spectroscopy, density functional theory (DFT) calculation and scanning tunneling microscopy (STM). We observed three common Raman-active vibrational modes located at 95 (A 2 1g), 228 (A 1 1g), and 304 cm −1 (B 1 1g) in ZrSiTe few-layers, consistent with our theoretical calculations. Moreover, a pronounced mode sitting at 131.7 cm −1 was found in the ZrSiTe monolayer. This mode fades out quickly in the bilayer (2L) and eventually disappears in 4L. The high-resolution STM images and DFT calculations suggest this mode to be an intralayer shear mode at the Brillouin zone boundary which is activated by atomic point defects, and STM-based inelastic tunneling spectrum further confirms the existence of such a defect mode. The appearance of such 'forbidden' modes in Raman spectra may pave an avenue for the optical characterization of single-atom point defects in metallic 2D layers.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Raman detection of hidden phonons assisted by atomic point defects in a two-dimensional semimetal

et al. 2019

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“…DFT calculations were also carried out using the PBE potential [19] as implemented in the WIEN2k code [20]. Experimental structure parameters a = 3.71 A, c = 9.51 A, with Zr z = 0.2238 and Te z = 0.6399, were used [16,21,22] with cutoff parameter k max = 7/R MT inside the interstitial region. A mesh of 3000 k-points was employed for initial calculations.…”

Section: Experimental and Computational Methodsmentioning

confidence: 99%

NMR determination of Van Hove singularity and Lifshitz transitions in nodal-line semimetal ZrSiTe

Tian,

Zhu,

et al. 2021

Preprint

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We have applied nuclear magnetic resonance spectroscopy to study the distinctive network of nodal lines in the Dirac semimetal ZrSiTe. The low-T behavior is dominated by a symmetry-protected nodal line, with NMR providing a sensitive probe of the diamagnetic response of the associated carriers. A sharp low-T minimum in NMR shift and (T1T ) −1 provides a quantitative measure of the dispersionless, quasi-2D behavior of this nodal line. We also identify a van Hove singularity closely connected to this nodal line, and an associated T -induced Lifshitz transition. A disconnect in the NMR shift and line width at this temperature indicates the change in electronic behavior associated with this topological change. These features have an orientation-dependent behavior indicating a field-dependent scaling of the associated band energies.

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“…The experimental geometries were taken from Ref. [33]. For the self-consistent calculations, the reducible BZ was sampled by a 9 × 9 × 7 k-mesh and spin-orbit coupling was included.…”

Section: S 2)mentioning

confidence: 99%

Signature of an Ultrafast Photo-Induced Lifshitz Transition in the Nodal-Line Semimetal ZrSiTe

Kirby,

Muechler,

Klemenz

et al. 2020

Preprint

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Here we report an ultrafast optical spectroscopic study of the nodal-line semimetal ZrSiTe. Our measurements reveal that, converse to other compounds of the family, the sudden injection of electronic excitations results in a strongly coherent response of an A1g phonon mode which dynamically modifies the distance between Zr and Te atoms and Si layers. "Frozen phonon" DFT calculations, in which band structures are calculated as a function of nuclear position along the phonon mode coordinate, show that large displacements along this mode alter the material's electronic structure significantly, forcing bands to approach and even cross the Fermi energy. The incoherent part of the time domain response reveals that a delayed electronic response at low fluence discontinuously evolves into an instantaneous one for excitation densities larger than 3.43 × 10 17 cm −3 . This sudden change of the dissipative channels for electronic excitations is indicative of an ultrafast Lifshitz transition which we tentatively associate to a change in topology of the Fermi surface driven by a symmetry preserving A1g phonon mode.

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Structure of the layer compound ZrSiTe

Cited by 12 publications

References 2 publications

Raman detection of hidden phonons assisted by atomic point defects in a two-dimensional semimetal

Raman detection of hidden phonons assisted by atomic point defects in a two-dimensional semimetal

NMR determination of Van Hove singularity and Lifshitz transitions in nodal-line semimetal ZrSiTe

Signature of an Ultrafast Photo-Induced Lifshitz Transition in the Nodal-Line Semimetal ZrSiTe

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