TY - JOUR
T1 - Vibrational properties of disordered stealthy hyperuniform 1D atomic chains
AU - Zhuang, Houlong
AU - Chen, Duyu
AU - Liu, Lei
AU - Keeney, David
AU - Zhang, Ge
AU - Jiao, Yang
N1 - Publisher Copyright:
© 2024 IOP Publishing Ltd
PY - 2024/7/17
Y1 - 2024/7/17
N2 - Disorder hyperuniformity is a recently discovered exotic state of many-body systems that possess a hidden order in between that of a perfect crystal and a completely disordered system. Recently, this novel disordered state has been observed in a number of quantum materials including amorphous 2D graphene and silica, which are endowed with unexpected electronic transport properties. Here, we numerically investigate 1D atomic chain models, including perfect crystalline, disordered stealthy hyperuniform (SHU) as well as randomly perturbed atom packing configurations to obtain a quantitative understanding of how the unique SHU disorder affects the vibrational properties of these low-dimensional materials. We find that the disordered SHU chains possess lower cohesive energies compared to the randomly perturbed chains, implying their potential reliability in experiments. Our inverse partition ratio (IPR) calculations indicate that the SHU chains can support fully delocalized states just like perfect crystalline chains over a wide range of frequencies, i.e. ω ∈ ( 0 , 100 ) cm−1, suggesting superior phonon transport behaviors within these frequencies, which was traditionally considered impossible in disordered systems. Interestingly, we observe the emergence of a group of highly localized states associated with ω ∼ 200 cm−1, which is characterized by a significant peak in the IPR and a peak in phonon density of states at the corresponding frequency, and is potentially useful for decoupling electron and phonon degrees of freedom. These unique properties of disordered SHU chains have implications in the design and engineering of novel quantum materials for thermal and phononic applications.
AB - Disorder hyperuniformity is a recently discovered exotic state of many-body systems that possess a hidden order in between that of a perfect crystal and a completely disordered system. Recently, this novel disordered state has been observed in a number of quantum materials including amorphous 2D graphene and silica, which are endowed with unexpected electronic transport properties. Here, we numerically investigate 1D atomic chain models, including perfect crystalline, disordered stealthy hyperuniform (SHU) as well as randomly perturbed atom packing configurations to obtain a quantitative understanding of how the unique SHU disorder affects the vibrational properties of these low-dimensional materials. We find that the disordered SHU chains possess lower cohesive energies compared to the randomly perturbed chains, implying their potential reliability in experiments. Our inverse partition ratio (IPR) calculations indicate that the SHU chains can support fully delocalized states just like perfect crystalline chains over a wide range of frequencies, i.e. ω ∈ ( 0 , 100 ) cm−1, suggesting superior phonon transport behaviors within these frequencies, which was traditionally considered impossible in disordered systems. Interestingly, we observe the emergence of a group of highly localized states associated with ω ∼ 200 cm−1, which is characterized by a significant peak in the IPR and a peak in phonon density of states at the corresponding frequency, and is potentially useful for decoupling electron and phonon degrees of freedom. These unique properties of disordered SHU chains have implications in the design and engineering of novel quantum materials for thermal and phononic applications.
KW - 1D atom chains
KW - stealthy hyperuniform
KW - vibrational properties
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U2 - 10.1088/1361-648X/ad3b5c
DO - 10.1088/1361-648X/ad3b5c
M3 - Article
C2 - 38579735
AN - SCOPUS:85190579917
SN - 0953-8984
VL - 36
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
IS - 28
M1 - 285703
ER -