INITIO MOLECULAR-DYNAMICS;
TOTAL-ENERGY CALCULATIONS;
PLANE-WAVE;
CRYSTAL;
BONDS;
VISUALIZATION;
COHP;
D O I:
10.1038/s43246-021-00130-5
中图分类号:
T [工业技术];
学科分类号:
08 ;
摘要:
Uniaxial strain is a powerful approach to tune material properties and select between nearly degenerate phases. Here, uniaxial strain is used to stabilize the elusive 6x1 charge ordered ground state of IrTe2, revealing insights into its electronic structure and type-II topological Dirac states. Strain is ubiquitous in solid-state materials, but despite its fundamental importance and technological relevance, leveraging externally applied strain to gain control over material properties is still in its infancy. In particular, strain control over the diverse phase transitions and topological states in two-dimensional transition metal dichalcogenides remains an open challenge. Here, we exploit uniaxial strain to stabilize the long-debated structural ground state of the 2D topological semimetal IrTe2, which is hidden in unstrained samples. Combined angle-resolved photoemission spectroscopy and scanning tunneling microscopy data reveal the strain-stabilized phase has a 6 x 1 periodicity and undergoes a Lifshitz transition, granting unprecedented spectroscopic access to previously inaccessible type-II topological Dirac states that dominate the modified inter-layer hopping. Supported by density functional theory calculations, we show that strain induces an Ir to Te charge transfer resulting in strongly weakened inter-layer Te bonds and a reshaped energetic landscape favoring the 6x1 phase. Our results highlight the potential to exploit strain-engineered properties in layered materials, particularly in the context of tuning inter-layer behavior.
机构:
Okayama Univ, Fac Sci, Dept Phys, Okayama 7008530, Japan
Japan Sci & Technol Agcy JST, Transformat Res Project Iron Pnictides TRIP, Chiyoda Ku, Tokyo 1020075, JapanOkayama Univ, Fac Sci, Dept Phys, Okayama 7008530, Japan
Pyon, Sunseng
论文数: 引用数:
h-index:
机构:
Kudo, Kazutaka
Nohara, Minoru
论文数: 0引用数: 0
h-index: 0
机构:
Okayama Univ, Fac Sci, Dept Phys, Okayama 7008530, Japan
Japan Sci & Technol Agcy JST, Transformat Res Project Iron Pnictides TRIP, Chiyoda Ku, Tokyo 1020075, JapanOkayama Univ, Fac Sci, Dept Phys, Okayama 7008530, Japan
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Wang, Aiwei
Liu, Ziyuan
论文数: 0引用数: 0
h-index: 0
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Liu, Ziyuan
Pan, Jinbo
论文数: 0引用数: 0
h-index: 0
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Pan, Jinbo
Li, Qiaochu
论文数: 0引用数: 0
h-index: 0
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Li, Qiaochu
Li, Geng
论文数: 0引用数: 0
h-index: 0
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, CAS Ctr Excellence Topol Quantum Computat, Beijing 100190, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Li, Geng
Huan, Qing
论文数: 0引用数: 0
h-index: 0
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Huan, Qing
Du, Shixuan
论文数: 0引用数: 0
h-index: 0
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, CAS Ctr Excellence Topol Quantum Computat, Beijing 100190, Peoples R China
Songshan Lake Mat Lab, Dongguan 523808, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Du, Shixuan
Gao, Hong-Jun
论文数: 0引用数: 0
h-index: 0
机构:
Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100190, Peoples R China
Univ Chinese Acad Sci, CAS Ctr Excellence Topol Quantum Computat, Beijing 100190, Peoples R China
Songshan Lake Mat Lab, Dongguan 523808, Peoples R ChinaChinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China