KTlO: a metal shrouded 2D semiconductor with high carrier mobility and tunable magnetism
Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we predict a novel two-dimensional monolayer KTlO that possesses an indirect band gap of 2.25 eV (based on HSE06 calculations) and high carrier mobili...
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| Published in | Nanoscale Vol. 11; no. 3; pp. 1131 - 1139 |
|---|---|
| Main Authors | , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
England
Royal Society of Chemistry
17.01.2019
|
| Subjects | |
| Online Access | Get full text |
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| Abstract | Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we predict a novel two-dimensional monolayer KTlO that possesses an indirect band gap of 2.25 eV (based on HSE06 calculations) and high carrier mobility (450 cm
2
V
−1
s
−1
for electrons and 160 cm
2
V
−1
s
−1
for holes) by means of
ab initio
calculations. The electron mobility can be increased up to 26 280 cm
2
V
−1
s
−1
and 54 150 cm
2
V
−1
s
−1
for bilayer and trilayer KTlO, respectively. The KTlO monolayer has a calculated cleavage energy of 0.56 J m
−2
, which suggests exfoliation of the bulk material as a viable means for the preparation of mono- and few-layer materials. Remarkably, the KTlO monolayer demonstrates tunable magnetism and half-metallicity with hole doping, which are attributed to the novel Mexican-hat-like bands and van Hove singularities in its electronic structure. Furthermore, monolayer KTlO exhibits moderate optical absorption over the visible light and ultraviolet regions. The band gap value and band characteristics of monolayer KTlO can be substantially manipulated by biaxial and uniaxial strains to meet the requirement of various applications. All these novel properties make monolayer KTlO a promising functional material for future nanoelectronic and spintronic applications. |
|---|---|
| AbstractList | Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we predict a novel two-dimensional monolayer KTlO that possesses an indirect band gap of 2.25 eV (based on HSE06 calculations) and high carrier mobility (450 cm
2
V
−1
s
−1
for electrons and 160 cm
2
V
−1
s
−1
for holes) by means of
ab initio
calculations. The electron mobility can be increased up to 26 280 cm
2
V
−1
s
−1
and 54 150 cm
2
V
−1
s
−1
for bilayer and trilayer KTlO, respectively. The KTlO monolayer has a calculated cleavage energy of 0.56 J m
−2
, which suggests exfoliation of the bulk material as a viable means for the preparation of mono- and few-layer materials. Remarkably, the KTlO monolayer demonstrates tunable magnetism and half-metallicity with hole doping, which are attributed to the novel Mexican-hat-like bands and van Hove singularities in its electronic structure. Furthermore, monolayer KTlO exhibits moderate optical absorption over the visible light and ultraviolet regions. The band gap value and band characteristics of monolayer KTlO can be substantially manipulated by biaxial and uniaxial strains to meet the requirement of various applications. All these novel properties make monolayer KTlO a promising functional material for future nanoelectronic and spintronic applications. Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we predict a novel two-dimensional monolayer KTlO that possesses an indirect band gap of 2.25 eV (based on HSE06 calculations) and high carrier mobility (450 cm2 V−1 s−1 for electrons and 160 cm2 V−1 s−1 for holes) by means of ab initio calculations. The electron mobility can be increased up to 26 280 cm2 V−1 s−1 and 54 150 cm2 V−1 s−1 for bilayer and trilayer KTlO, respectively. The KTlO monolayer has a calculated cleavage energy of 0.56 J m−2, which suggests exfoliation of the bulk material as a viable means for the preparation of mono- and few-layer materials. Remarkably, the KTlO monolayer demonstrates tunable magnetism and half-metallicity with hole doping, which are attributed to the novel Mexican-hat-like bands and van Hove singularities in its electronic structure. Furthermore, monolayer KTlO exhibits moderate optical absorption over the visible light and ultraviolet regions. The band gap value and band characteristics of monolayer KTlO can be substantially manipulated by biaxial and uniaxial strains to meet the requirement of various applications. All these novel properties make monolayer KTlO a promising functional material for future nanoelectronic and spintronic applications. Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we predict a novel two-dimensional monolayer KTlO that possesses an indirect band gap of 2.25 eV (based on HSE06 calculations) and high carrier mobility (450 cm2 V-1 s-1 for electrons and 160 cm2 V-1 s-1 for holes) by means of ab initio calculations. The electron mobility can be increased up to 26 280 cm2 V-1 s-1 and 54 150 cm2 V-1 s-1 for bilayer and trilayer KTlO, respectively. The KTlO monolayer has a calculated cleavage energy of 0.56 J m-2, which suggests exfoliation of the bulk material as a viable means for the preparation of mono- and few-layer materials. Remarkably, the KTlO monolayer demonstrates tunable magnetism and half-metallicity with hole doping, which are attributed to the novel Mexican-hat-like bands and van Hove singularities in its electronic structure. Furthermore, monolayer KTlO exhibits moderate optical absorption over the visible light and ultraviolet regions. The band gap value and band characteristics of monolayer KTlO can be substantially manipulated by biaxial and uniaxial strains to meet the requirement of various applications. All these novel properties make monolayer KTlO a promising functional material for future nanoelectronic and spintronic applications. Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we predict a novel two-dimensional monolayer KTlO that possesses an indirect band gap of 2.25 eV (based on HSE06 calculations) and high carrier mobility (450 cm2 V-1 s-1 for electrons and 160 cm2 V-1 s-1 for holes) by means of ab initio calculations. The electron mobility can be increased up to 26 280 cm2 V-1 s-1 and 54 150 cm2 V-1 s-1 for bilayer and trilayer KTlO, respectively. The KTlO monolayer has a calculated cleavage energy of 0.56 J m-2, which suggests exfoliation of the bulk material as a viable means for the preparation of mono- and few-layer materials. Remarkably, the KTlO monolayer demonstrates tunable magnetism and half-metallicity with hole doping, which are attributed to the novel Mexican-hat-like bands and van Hove singularities in its electronic structure. Furthermore, monolayer KTlO exhibits moderate optical absorption over the visible light and ultraviolet regions. The band gap value and band characteristics of monolayer KTlO can be substantially manipulated by biaxial and uniaxial strains to meet the requirement of various applications. All these novel properties make monolayer KTlO a promising functional material for future nanoelectronic and spintronic applications.Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we predict a novel two-dimensional monolayer KTlO that possesses an indirect band gap of 2.25 eV (based on HSE06 calculations) and high carrier mobility (450 cm2 V-1 s-1 for electrons and 160 cm2 V-1 s-1 for holes) by means of ab initio calculations. The electron mobility can be increased up to 26 280 cm2 V-1 s-1 and 54 150 cm2 V-1 s-1 for bilayer and trilayer KTlO, respectively. The KTlO monolayer has a calculated cleavage energy of 0.56 J m-2, which suggests exfoliation of the bulk material as a viable means for the preparation of mono- and few-layer materials. Remarkably, the KTlO monolayer demonstrates tunable magnetism and half-metallicity with hole doping, which are attributed to the novel Mexican-hat-like bands and van Hove singularities in its electronic structure. Furthermore, monolayer KTlO exhibits moderate optical absorption over the visible light and ultraviolet regions. The band gap value and band characteristics of monolayer KTlO can be substantially manipulated by biaxial and uniaxial strains to meet the requirement of various applications. All these novel properties make monolayer KTlO a promising functional material for future nanoelectronic and spintronic applications. |
| Author | Xue, Kan-Hao Yuan, Jun-Hui Miao, Xiang-Shui Wang, Jia-Fu Li, Li-Heng Xu, Ming Song, Ya-Qian |
| Author_xml | – sequence: 1 givenname: Ya-Qian surname: Song fullname: Song, Ya-Qian organization: Wuhan National Research Center for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, China – sequence: 2 givenname: Jun-Hui surname: Yuan fullname: Yuan, Jun-Hui organization: Wuhan National Research Center for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, China – sequence: 3 givenname: Li-Heng surname: Li fullname: Li, Li-Heng organization: Wuhan National Research Center for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, China – sequence: 4 givenname: Ming orcidid: 0000-0002-2730-283X surname: Xu fullname: Xu, Ming organization: Wuhan National Research Center for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, China – sequence: 5 givenname: Jia-Fu surname: Wang fullname: Wang, Jia-Fu organization: School of Science, Wuhan University of Technology, Wuhan 430070, China – sequence: 6 givenname: Kan-Hao orcidid: 0000-0002-2894-7912 surname: Xue fullname: Xue, Kan-Hao organization: Wuhan National Research Center for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, China – sequence: 7 givenname: Xiang-Shui orcidid: 0000-0002-3999-7421 surname: Miao fullname: Miao, Xiang-Shui organization: Wuhan National Research Center for Optoelectronics, School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074, China |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/30574970$$D View this record in MEDLINE/PubMed |
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| Snippet | Two-dimensional materials with high carrier mobility and tunable magnetism are in high demand for nanoelectronic and spintronic applications. Herein, we... |
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| SubjectTerms | Banded structure Bilayers Carrier mobility Electron mobility Electronic structure Electrons Energy gap Magnetism Mathematical analysis Metallicity Monolayers Singularities |
| Title | KTlO: a metal shrouded 2D semiconductor with high carrier mobility and tunable magnetism |
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