Intertwined orbital distribution of charge density waves in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>NbSe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:mrow> </mml:math>

Charge density wave (CDW) resulting from a periodic distortion in the lattice creates orders beyond the original lattice. In <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:mn>2</a:mn> <a:msub> <a:mrow> <a:mi>H</a:mi> <a:mtext>−</a:mtext> <a:mi>NbSe</a:mi> </a:mrow> <a:mn>2</a:mn> </a:msub> </a:mrow> </a:math> , one of the layered transition metal dichalcogenides, the <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:mrow> <b:mn>3</b:mn> <b:mo>×</b:mo> <b:mn>3</b:mn> </b:mrow> </b:math> charge order appears in two-dimensional (2D) layers. Although CDW can be observed by different techniques, the spatial distribution within a 2D layer has never been systematically visualized. Here, by using scanning tunneling microscopy and density functional theory, we monitored the evolution of CDW along the <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mi>c</c:mi> </c:math> axis and found a strong relation with the orbital charges. The results show that the appearance of the CDW varies while tuning the tunneling current and undergoes a transition from Se orbital charges to Nb orbital charges. The calculation of orbital charge distributions shows that both CDW intensity modulation and the transition are strongly intertwined with the distribution of Se <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:mn>4</d:mn> <d:mi>p</d:mi> </d:mrow> </d:math> orbitals and Nb <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:mrow> <e:mn>4</e:mn> <e:mi>d</e:mi> </e:mrow> </e:math> orbitals.

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Journal
Physical Review Research
Published
2025-09-18
DOI
https://doi.org/10.1103/dn1j-gkjs
Primary Topic
2D Materials and Applications
Type
article
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article

Intertwined orbital distribution of charge density waves in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>NbSe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:mrow> </mml:math>

Ming-Chiang Chung, Yung-Ting Lee, Wen‐Hao Chang, Chun‐Liang Lin et al.
Physical Review Research
2D Materials and Applications
article

Intertwined orbital distribution of charge density waves in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi>NbSe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:mrow> </mml:math>

Ming-Chiang Chung, Yung-Ting Lee, Wen‐Hao Chang, Chun‐Liang Lin, Chang‐Tsan Lee, C. S. Lue, Cheng‐Tien Chiang, Jie-Yu Hsu, N. Takagi, Guan‐Hao Chen, Chien-Cheng Kuo, Jyun-Yu Wu, Z. Y. Li, Po‐Tuan Chen, Juhn‐Jong Lin, Hung‐Chung Hsueh, Chi‐Cheng Lee, Chien‐Te Wu, Chia-Nung Kuo
article en

Abstract

Charge density wave (CDW) resulting from a periodic distortion in the lattice creates orders beyond the original lattice. In <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:mn>2</a:mn> <a:msub> <a:mrow> <a:mi>H</a:mi> <a:mtext>−</a:mtext> <a:mi>NbSe</a:mi> </a:mrow> <a:mn>2</a:mn> </a:msub> </a:mrow> </a:math> , one of the layered transition metal dichalcogenides, the <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"> <b:mrow> <b:mn>3</b:mn> <b:mo>×</b:mo> <b:mn>3</b:mn> </b:mrow> </b:math> charge order appears in two-dimensional (2D) layers. Although CDW can be observed by different techniques, the spatial distribution within a 2D layer has never been systematically visualized. Here, by using scanning tunneling microscopy and density functional theory, we monitored the evolution of CDW along the <c:math xmlns:c="http://www.w3.org/1998/Math/MathML"> <c:mi>c</c:mi> </c:math> axis and found a strong relation with the orbital charges. The results show that the appearance of the CDW varies while tuning the tunneling current and undergoes a transition from Se orbital charges to Nb orbital charges. The calculation of orbital charge distributions shows that both CDW intensity modulation and the transition are strongly intertwined with the distribution of Se <d:math xmlns:d="http://www.w3.org/1998/Math/MathML"> <d:mrow> <d:mn>4</d:mn> <d:mi>p</d:mi> </d:mrow> </d:math> orbitals and Nb <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:mrow> <e:mn>4</e:mn> <e:mi>d</e:mi> </e:mrow> </e:math> orbitals.

Physical Review ResearchVol. 7(4)
Tamkang University (TW), National Taipei University of Technology (TW), National Sun Yat-sen University (TW), National Yang Ming Chiao Tung University (TW), National Chung Hsing University (TW), National Taitung University (TW), Kyoto University (JP), Research Center for Applied Science, Academia Sinica (TW), National Science and Technology Council (ZM), National Center for Theoretical Sciences (TW), National Science and Technology Council (TW), Institute of Atomic and Molecular Sciences, Academia Sinica (TW), National Center for Theoretical Sciences, Physics Division, National Cheng Kung University (TW), National Taipei University (TW)
Openalex Percentile: Top 71%
2D Materials and Applications
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