{"title":"用于高性能和双极器件应用的 M8X12-石墨烯(M = Mo、W;X = S、Se)范德华异质结构中的本征欧姆触点和极性可调肖特基势垒","authors":"Yuehua Xu, Qiang Zeng","doi":"10.1002/pssb.202400164","DOIUrl":null,"url":null,"abstract":"Considering the synthesis of novel 2D monolayers such as W<jats:sub>8</jats:sub>Se<jats:sub>1</jats:sub><jats:sub>2</jats:sub>, which are ideal for nanoelectronics, in this study, density‐functional theory is utilized to examine M<jats:sub>8</jats:sub>X<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G (M = Mo, W; X = S, Se) van der Waals heterostructures (vdWHs). Herein, the crucial role of intrinsic Ohmic contacts and Schottky barrier heights (SBH) at metal/semiconductor interfaces in these heterojunctions, which are vital for efficient current flow and minimal resistance, and their impact on high‐performance electronic and bipolar device applications are focused on. In these findings, it is revealed that W<jats:sub>8</jats:sub>Se<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G forms an Ohmic contact with a 75.4% tunneling probability, while Mo<jats:sub>8</jats:sub>S<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G, W<jats:sub>8</jats:sub>S<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G, and Mo<jats:sub>8</jats:sub>Se<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G develop n‐type Schottky contacts with remarkably low SBHs of 0.110, 0.136, and 0.064 eV, respectively. The adaptability of these Schottky barriers is demonstrated by modifying the interlayer distance or applying an electric field, leading to transitions from n‐type to p‐type contacts. Additionally, mechanical strain influences the contact type, offering valuable insights for future nanoelectronic and bipolar device technologies. This comprehensive analysis underlines the versatile electronic behavior of M<jats:sub>8</jats:sub>X<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G vdWHs, highlighting their potential in advancing nanoelectronic devices.","PeriodicalId":20406,"journal":{"name":"Physica Status Solidi B-basic Solid State Physics","volume":"19 1","pages":""},"PeriodicalIF":1.5000,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Intrinsic Ohmic Contacts and Polarity‐Tunable Schottky Barriers in M8X12–Graphene (M = Mo, W; X = S, Se) van der Waals Heterostructures for High‐Performance and Bipolar Device Applications\",\"authors\":\"Yuehua Xu, Qiang Zeng\",\"doi\":\"10.1002/pssb.202400164\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Considering the synthesis of novel 2D monolayers such as W<jats:sub>8</jats:sub>Se<jats:sub>1</jats:sub><jats:sub>2</jats:sub>, which are ideal for nanoelectronics, in this study, density‐functional theory is utilized to examine M<jats:sub>8</jats:sub>X<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G (M = Mo, W; X = S, Se) van der Waals heterostructures (vdWHs). Herein, the crucial role of intrinsic Ohmic contacts and Schottky barrier heights (SBH) at metal/semiconductor interfaces in these heterojunctions, which are vital for efficient current flow and minimal resistance, and their impact on high‐performance electronic and bipolar device applications are focused on. In these findings, it is revealed that W<jats:sub>8</jats:sub>Se<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G forms an Ohmic contact with a 75.4% tunneling probability, while Mo<jats:sub>8</jats:sub>S<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G, W<jats:sub>8</jats:sub>S<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G, and Mo<jats:sub>8</jats:sub>Se<jats:sub>1</jats:sub><jats:sub>2</jats:sub>/G develop n‐type Schottky contacts with remarkably low SBHs of 0.110, 0.136, and 0.064 eV, respectively. The adaptability of these Schottky barriers is demonstrated by modifying the interlayer distance or applying an electric field, leading to transitions from n‐type to p‐type contacts. 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引用次数: 0
摘要
考虑到 W8Se12 等新型二维单层的合成非常适合纳米电子学,本研究利用密度函数理论研究了 M8X12/G(M = Mo、W;X = S、Se)范德华异质结构(vdWHs)。在这里,研究重点是这些异质结中金属/半导体界面上的本征欧姆接触和肖特基势垒高度(SBH)的关键作用,它们对高效电流流动和最小电阻至关重要,以及它们对高性能电子和双极器件应用的影响。研究结果表明,W8Se12/G 形成的欧姆接触的隧穿概率为 75.4%,而 Mo8S12/G、W8Se12/G 和 Mo8Se12/G 形成的 n 型肖特基接触的 SBH 值极低,分别为 0.110、0.136 和 0.064 eV。通过改变层间距离或施加电场,这些肖特基势垒的适应性得到了证明,从而实现了从 n 型触点到 p 型触点的转变。此外,机械应变也会影响接触类型,这为未来的纳米电子和双极器件技术提供了宝贵的启示。这项综合分析强调了 M8X12/G vdWHs 的多功能电子行为,凸显了它们在推动纳米电子器件发展方面的潜力。
Intrinsic Ohmic Contacts and Polarity‐Tunable Schottky Barriers in M8X12–Graphene (M = Mo, W; X = S, Se) van der Waals Heterostructures for High‐Performance and Bipolar Device Applications
Considering the synthesis of novel 2D monolayers such as W8Se12, which are ideal for nanoelectronics, in this study, density‐functional theory is utilized to examine M8X12/G (M = Mo, W; X = S, Se) van der Waals heterostructures (vdWHs). Herein, the crucial role of intrinsic Ohmic contacts and Schottky barrier heights (SBH) at metal/semiconductor interfaces in these heterojunctions, which are vital for efficient current flow and minimal resistance, and their impact on high‐performance electronic and bipolar device applications are focused on. In these findings, it is revealed that W8Se12/G forms an Ohmic contact with a 75.4% tunneling probability, while Mo8S12/G, W8S12/G, and Mo8Se12/G develop n‐type Schottky contacts with remarkably low SBHs of 0.110, 0.136, and 0.064 eV, respectively. The adaptability of these Schottky barriers is demonstrated by modifying the interlayer distance or applying an electric field, leading to transitions from n‐type to p‐type contacts. Additionally, mechanical strain influences the contact type, offering valuable insights for future nanoelectronic and bipolar device technologies. This comprehensive analysis underlines the versatile electronic behavior of M8X12/G vdWHs, highlighting their potential in advancing nanoelectronic devices.
期刊介绍:
physica status solidi is devoted to the thorough peer review and the rapid publication of new and important results in all fields of solid state and materials physics, from basic science to applications and devices. Being among the largest and most important international publications, the pss journals publish review articles, letters and original work as well as special issues and conference contributions.
physica status solidi b – basic solid state physics is devoted to topics such as theoretical and experimental investigations of the atomistic and electronic structure of solids in general, phase transitions, electronic and optical properties of low-dimensional, nano-scale, strongly correlated, or disordered systems, superconductivity, magnetism, ferroelectricity etc.