Spin wave Hamiltonian and anomalous scattering in NiPS3

被引：18

作者：

Scheie, A. ^{[1
]}

Park, Pyeongjae ^{[2
,3
]}

Villanova, J. W. ^{[4
]}

Granroth, G. E. ^{[5
]}

Sarkis, C. L. ^{[5
]}

Zhang, Hao ^{[6
]}

Stone, M. B. ^{[5
]}

Park, Je-Geun ^{[2
,3
,7
]}

Okamoto, S. ^{[8
]}

Berlijn, T. ^{[4
]}

Tennant, D. A. ^{[9
,10
]}

机构：

[1] Los Alamos Natl Lab, MPA Q, Los Alamos, NM 87545 USA

[2] Seoul Natl Univ, Ctr Quantum Mat, Seoul 08826, South Korea

[3] Seoul Natl Univ, Dept Phys & Astron, Seoul 08826, South Korea

[4] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA

[5] Oak Ridge Natl Lab, Neutron Scattering Div, Oak Ridge, TN 37831 USA

[6] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA

[7] Seoul Natl Univ, Inst Appl Phys, Seoul 08826, South Korea

[8] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA

[9] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA

[10] Oak Ridge Natl Lab, Shull Wollan Ctr, Oak Ridge, TN 37831 USA

来源：

PHYSICAL REVIEW B | 2023年 / 108卷 / 10期

基金：

新加坡国家研究基金会;

关键词：

TOTAL-ENERGY CALCULATIONS; MAGNETISM; MN; FE;

D O I：

10.1103/PhysRevB.108.104402

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report a comprehensive spin wave analysis of the semiconducting honeycomb van der Waal antiferro-magnet NiPS3. Using single-crystal inelastic neutron scattering, we map out the full Brillouin zone and fit the observed modes to a spin wave model with rigorously defined uncertainty. We find that the third-nearest-neighbor exchange J3 dominates the Hamiltonian, a feature which we fully account for by ab initio density functional theory calculations. We also quantify the degree to which the threefold rotation symmetry is broken and account for the Q = 0 excitations observed in other measurements, yielding a spin exchange model which is consistent across multiple experimental probes. We also identify a strongly reduced static ordered moment and reduced low-energy intensity relative to the linear spin wave calculations, signaling unexplained features in the magnetism which requires going beyond the linear spin wave approximation.

引用

页数：14

共 61 条

[1] Controlling the anisotropy of a van der Waals antiferromagnet with light [J].