Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · 2405.12072

Real topological phonons in 3D carbon allotropes

Xiaotian Wang·Jingbo Bai·Jianhua Wang·Zhenxiang Cheng·Shifeng Qian·Wenhong Wang·Gang Zhang·Zhi-Ming Yu·Yugui Yao
View original source ↗Read source document ↗Export metadata ↓

Abstract

There has been a significant focus on real topological systems that enjoy space-time inversion symmetry (PT ) and lack spin-orbit coupling. While the theoretical classification of the real topology has been established, more progress has yet to be made in the materials realization of such real topological systems in three dimensions (3D). To address this crucial issue, by selecting the carbon-based material candidates as targets, we perform high-throughput computing to inspect the real topology in the phonon spectrums of the 3D carbon allotropes in the Samara Carbon Allotrope Database (SACADA). Among 1192 kinds of 3D carbon allotropes, we find 65 real topological systems with a phononic real Chern insulating (PRCI) state, 2 real topological systems with a phononic real nodal line (PRNL) state, 10 real topological systems with a phononic real Dirac point (PRDP) state, and 8 real topological systems with a phononic real triple-point pair (PRTPP) state. This extremely expands the material candidates with real topology, especially for the gapless topological phonons. We exhibit the PRCI, PRNL, PRTPP, and PRDP states of 27-SG. 166-pcu-h, 1081-SG. 194- 4 2T13-CA, 52-SG. 141-gis, and 132-SG. 191-3,4T157 as illustrative examples, and explore the second-order boundary mode, i.e., phononic hinge mode. Among the four examples, the materials 1081-SG. 194-42T13-CA and 52-SG. 141-gis are so ideal that the PRNL and PRTPP in them are well separated from other bands, and the phononic hinge mode can be clearly observed. This study aims to broaden the understanding of 3D topological phonons, and emphasizes the potential of 3D carbon allotropes as a valuable framework for exploring the fascinating physics related to phononic hinge modes and phononic real topology.

Explore related subjects

cond-mat.mtrl-sci

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Xiaotian Wang, Jingbo Bai, Jianhua Wang, Zhenxiang Cheng, Shifeng Qian, Wenhong Wang, Gang Zhang, Zhi-Ming Yu, Yugui Yao. 2024-05-20. Real topological phonons in 3D carbon allotropes. https://arxiv.org/abs/2405.12072

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)

Cryptomelane is a hollandite-like material consisting of K$^+$ cations in an $α$-MnO$_2$ tunnel-like crystallographic motif. Cryptomelane with stoichiometry K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$) has been synthesized and its magnetic properties investigated using variable-temperature magnetic susceptibility, heat capacity, and neutron powder diffraction. Three distinct transitions at $T_1=184$\,K, $T_2=54.5$\,K, and $T_3=24$\,K are observed. At $T_1$ there is a subtle tetragonal$\rightarrow$monoclinic transition associated with emergence of a set of non-magnetic superstructure peaks indexable to a $\vec{k}_\mathrm{struc}\approx0.74\vec{c^*}$ incommensurate modulation parallel to the $α$-MnO$_2$ tunnels. Our findings are consistent with a relation previously reported in titanate hollandites, that $x\approx2|\vec{k}_\mathrm{struc}|$. Magnetic Bragg peaks emerge below $T_2=54.5$\,K, and their positions indicate an incommensurate modulated magnetic structure. The model consistent with the data is a dual-$\vec{k}_\mathrm{mag}$ structure with a ferromagnetic $|\vec{k}_\mathrm{mag}|=0$ component and an incommensurate $\vec{k}_\mathrm{mag}\approx0.37\vec{c^*}$, with the latter most likely to be helical. The period of oscillation of the incommensurate magnetic component is in line with predictions based on a Heisenberg spin Hamiltonian [Mandal \textit{et al}. Phys. Rev. B 90, 104420 (2014)]. Below $T_3=24$\,K, there is a magnetic transition, which gives rise to a different set of magnetic Bragg peaks indicative of a highly complex magnetic structure.

cond-mat.mtrl-sci↗
arXiv2026

An anisotropic functional for two-dimensional material systems

Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose a special challenge, as all these materials and their heterostructures have a crucial similarity. The underlying atomic structures are strongly spatially inhomogeneous, implying that current exchange-correlation functionals, that in almost all cases are isotropic, are ill-prepared for an accurate description. We present an anisotropic screened-exchange potential, that remedies this problem and reproduces the band-gap of 2D materials as well as the piecewise linearity of the total energy with fractional occupation number.

cond-mat.mtrl-sci↗
arXiv2026

Thermally-driven reorientation of the Néel vector in altermagnetic MnTe

Altermagnets are novel magnetic systems that possess a spin-polarized electronic band structure without a net magnetic moment, making them promising for device applications. Hexagonal MnTe, a prototypical altermagnet, arguably exhibits the most properties consistent with theoretical predictions, including an anomalous Hall effect despite a vanishing net magnetization, and altermagnetinduced electronic band splitting. However, fundamental questions remain, including why some effects only appear significantly below the magnetic ordering temperature. Here, we resolve this discrepancy by revealing a reorientation of the Néel vector in single-crystalline MnTe. The Néel vector points 30° from the a-axis at low $T$, before aligning directly with the a-axis around $T\simeq 260$ K. We attribute this to single-ion anisotropy, which depends on temperature-dependent lattice parameters. We obtained these results using muon-spin spectroscopy, magnetization measurements, and X-ray diffraction; we show that the findings are consistent with neutron diffraction. Manipulating this effect, for example through strain, could unlock sensitive electronic detection schemes for external stimuli, paving the way for functional altermagnetic devices.

cond-mat.mtrl-sci↗