Magnetic properties of a staggered S=1 chain with an alternating single-ion anisotropy direction

IF 3.7 2区物理与天体物理 Q1 Physics and Astronomy

Physical Review B Pub Date : 2025-01-17 DOI:10.1103/physrevb.111.014421

S. Vaidya, S. P. M. Curley, P. Manuel, J. Ross Stewart, M. Duc Le, C. Balz, T. Shiroka, S. J. Blundell, K. A. Wheeler, I. Calderon-Lin, Z. E. Manson, J. L. Manson, J. Singleton, T. Lancaster, R. D. Johnson, P. A. Goddard

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While theoretical and experimental studies have extended this model to include various other energy scales, the effect of the lack of a common SIA axis is not well explored. Here we investigate the magnetic properties of <d:math xmlns:d=\"http://www.w3.org/1998/Math/MathML\"><d:mrow><d:mi>Ni</d:mi><d:mrow><d:mo>(</d:mo><d:mi>pyrimidine</d:mi><d:mo>)</d:mo></d:mrow><d:msub><d:mrow><d:mo>(</d:mo><d:msub><d:mi mathvariant=\"normal\">H</d:mi><d:mn>2</d:mn></d:msub><d:mi mathvariant=\"normal\">O</d:mi><d:mo>)</d:mo></d:mrow><d:mn>2</d:mn></d:msub><d:msub><d:mrow><d:mo>(</d:mo><d:msub><d:mi>NO</d:mi><d:mn>3</d:mn></d:msub><d:mo>)</d:mo></d:mrow><d:mn>2</d:mn></d:msub></d:mrow></d:math>, a chain compound where the tilting of Ni octahedra leads to a twofold alternation of the easy-axis directions along the chain. Muon-spin relaxation measurements indicate a transition to long-range order at <g:math xmlns:g=\"http://www.w3.org/1998/Math/MathML\"><g:mrow><g:msub><g:mi>T</g:mi><g:mtext>N</g:mtext></g:msub><g:mo>=</g:mo><g:mn>2.3</g:mn><g:mspace width=\"0.16em\"/><g:mi mathvariant=\"normal\">K</g:mi></g:mrow></g:math> and the magnetic structure is initially determined to be antiferromagnetic and collinear using elastic neutron diffraction experiments. Inelastic neutron scattering measurements were used to find <j:math xmlns:j=\"http://www.w3.org/1998/Math/MathML\"><j:mrow><j:msub><j:mi>J</j:mi><j:mn>0</j:mn></j:msub><j:mo>=</j:mo><j:mn>5.107</j:mn><j:mrow><j:mo>(</j:mo><j:mn>7</j:mn><j:mo>)</j:mo></j:mrow><j:mspace width=\"0.16em\"/><j:mi mathvariant=\"normal\">K</j:mi></j:mrow><j:mo>,</j:mo><j:mo> </j:mo><j:mrow><j:mi>D</j:mi><j:mo>=</j:mo><j:mn>2.79</j:mn><j:mrow><j:mo>(</j:mo><j:mn>1</j:mn><j:mo>)</j:mo></j:mrow><j:mspace width=\"0.16em\"/><j:mi mathvariant=\"normal\">K</j:mi><j:mo>,</j:mo><j:mspace width=\"0.16em\"/><j:msubsup><j:mi>J</j:mi><j:mn>1</j:mn><j:mo>′</j:mo></j:msubsup><j:mo>=</j:mo><j:mn>0.00</j:mn><j:mrow><j:mo>(</j:mo><j:mn>5</j:mn><j:mo>)</j:mo></j:mrow><j:mi mathvariant=\"normal\">K</j:mi></j:mrow><j:mo>,</j:mo><j:mo> </j:mo><j:mrow><j:msubsup><j:mi>J</j:mi><j:mn>2</j:mn><j:mo>′</j:mo></j:msubsup><j:mo>=</j:mo><j:mn>0.18</j:mn><j:mrow><j:mo>(</j:mo><j:mn>3</j:mn><j:mo>)</j:mo></j:mrow><j:mspace width=\"0.16em\"/><j:mi mathvariant=\"normal\">K</j:mi></j:mrow></j:math>, and a rhombic anisotropy energy <s:math xmlns:s=\"http://www.w3.org/1998/Math/MathML\"><s:mrow><s:mi>E</s:mi><s:mo>=</s:mo><s:mn>0.19</s:mn><s:mo>(</s:mo><s:mn>9</s:mn><s:mo>)</s:mo><s:mspace width=\"0.16em\"/><s:mi mathvariant=\"normal\">K</s:mi></s:mrow></s:math>. Mean-field modeling reveals that the ground state structure hosts spin canting of <v:math xmlns:v=\"http://www.w3.org/1998/Math/MathML\"><v:mrow><v:mi>ϕ</v:mi><v:mo>≈</v:mo><v:mn>6</v:mn><v:mo>.</v:mo><v:msup><v:mn>5</v:mn><v:mo>∘</v:mo></v:msup></v:mrow></v:math>, which is not detectable above the noise floor of the elastic neutron diffraction data. Monte Carlo simulation of the powder-averaged magnetization, <w:math xmlns:w=\"http://www.w3.org/1998/Math/MathML\"><w:mrow><w:mi>M</w:mi><w:mo>(</w:mo><w:mi>H</w:mi><w:mo>)</w:mo></w:mrow></w:math>, is then used to confirm these Hamiltonian parameters, while single-crystal <x:math xmlns:x=\"http://www.w3.org/1998/Math/MathML\"><x:mrow><x:mi>M</x:mi><x:mo>(</x:mo><x:mi>H</x:mi><x:mo>)</x:mo></x:mrow></x:math> simulations provide insight into features observed in the data. 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引用次数: 0

Abstract

Materials composed of spin-1 antiferromagnetic (AFM) chains are known to adopt complex ground states that are sensitive to the single-ion-anisotropy (SIA) energy (D), and intrachain (J0) and interchain (J1,2′) exchange energy scales. While theoretical and experimental studies have extended this model to include various other energy scales, the effect of the lack of a common SIA axis is not well explored. Here we investigate the magnetic properties of Ni(pyrimidine)(H2O)2(NO3)2, a chain compound where the tilting of Ni octahedra leads to a twofold alternation of the easy-axis directions along the chain. Muon-spin relaxation measurements indicate a transition to long-range order at TN=2.3K and the magnetic structure is initially determined to be antiferromagnetic and collinear using elastic neutron diffraction experiments. Inelastic neutron scattering measurements were used to find J0=5.107(7)K, D=2.79(1)K,J1′=0.00(5)K, J2′=0.18(3)K, and a rhombic anisotropy energy E=0.19(9)K. Mean-field modeling reveals that the ground state structure hosts spin canting of ϕ≈6.5∘, which is not detectable above the noise floor of the elastic neutron diffraction data. Monte Carlo simulation of the powder-averaged magnetization, M(H), is then used to confirm these Hamiltonian parameters, while single-crystal M(H) simulations provide insight into features observed in the data.

Published by the American Physical Society

2025

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单离子各向异性方向交替的交错S=1链的磁性

已知由自旋为1的反铁磁（AFM）链组成的材料采用复杂的基态，这些基态对单离子各向异性（SIA）能量(D)、链内（J0）和链间（j1,2 '）交换能量尺度敏感。虽然理论和实验研究已将该模型扩展到包括各种其他能量尺度，但缺乏共同SIA轴的影响尚未得到很好的探讨。本文研究了Ni（嘧啶）（H2O）2(NO3)2的磁性，Ni（嘧啶）（H2O）2是一种链式化合物，其八面体的倾斜导致沿链的易轴方向的两倍交替。μ子自旋弛豫测量表明在TN=2.3K时向长程阶跃迁，并利用弹性中子衍射实验初步确定其磁结构为反铁磁性和共线结构。采用非弹性中子散射测量得到J0=5.107(7)K， D=2.79(1)K,J1′=0.00(5)K, J2′=0.18(3)K，菱形各向异性能E=0.19(9)K。平均场模型显示基态结构具有φ≈6.5°的自旋倾斜，这在弹性中子衍射数据的噪声底之上是检测不到的。然后使用粉末平均磁化强度M(H)的蒙特卡罗模拟来确认这些哈密顿参数，而单晶M(H)模拟可以深入了解数据中观察到的特征。2025年由美国物理学会出版

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physical Review B 物理-物理：凝聚态物理

CiteScore

6.70

自引率

32.40%

发文量

审稿时长

3.0 months

期刊介绍： Physical Review B (PRB) is the world’s largest dedicated physics journal, publishing approximately 100 new, high-quality papers each week. The most highly cited journal in condensed matter physics, PRB provides outstanding depth and breadth of coverage, combined with unrivaled context and background for ongoing research by scientists worldwide. PRB covers the full range of condensed matter, materials physics, and related subfields, including: -Structure and phase transitions -Ferroelectrics and multiferroics -Disordered systems and alloys -Magnetism -Superconductivity -Electronic structure, photonics, and metamaterials -Semiconductors and mesoscopic systems -Surfaces, nanoscience, and two-dimensional materials -Topological states of matter