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Using density functional theory (DFT) based first principles calculations, we show that the preferred interfacial plane orientation relationship is determined by the strength of bonding at the interface. The thermodynamic stability, and the…

Materials Science · Physics 2016-06-29 S. K. Yadav , R. Ramprasad , J. Wang , A. Misra , X. -Y. Liu

The application of two-dimensional (2D) semiconductors, such as monolayer MoS2, is limited by the high contact resistance commonly attributed to interfacial barriers at metal contacts. Furthermore, the dependence of electrical conductivity…

The high contact resistance between MoS$_2$ and metals hinders its potential as an ideal solution for overcoming the short channel effect in silicon-based FETs at sub-3nm scales. We theoretically designed a MoS$_2$-based transistor,…

Mesoscale and Nanoscale Physics · Physics 2024-12-25 Huan Wang , Xiaojie Liu , Hui Wang , Yin Wang , Haitao Yin

We report on non-equilibrium electronic transport through normal-metal (Cu) nanobridges coupled to large reservoirs at low temperatures. We observe a logarithmic temperature dependence of the zero-bias conductance, as well as a universal…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 D. Beckmann , H. B. Weber , H. v. Löhneysen

The electronic transport through Au-(Cu$_{2}$O)$_n$-Au junctions is investigated using first-principles calculations and the nonequilibrium Green's function method. The effect of varying the thickness (i.e., $n$) is studied as well as that…

Materials Science · Physics 2016-06-07 Mohamed M. Fadlallah , Ulrich Eckern , Udo Schwingenschlögl

Heteroepitaxially grown bilayers of ferromagnetic La$_{0.7}$Ca$_{0.3}$MnO$_3$ (LCMO) on top of superconducting YBa$_2$Cu$_3$O$_7$ (YBCO) thin films were investigated by focusing on electric transport properties as well as on magnetism and…

Oxygen transport membranes(OTMs)have provided great opportunities in the last decades but are suffering from the trade-off effect between stability and oxygen permeability. Here, we report a group of new planar dual-phase mixed…

High contact resistance is one of the primary concerns for electronic device applications of two-dimensional (2D) layered semiconductors. Here, we explore the enhanced carrier transport through metal-semiconductor interfaces in WS2 field…

The generation of high magnetic fields requires materials with high electric conductivity and good strength properties. Cu/Nb composites are considered to be good candidates for this purpose. In this work we aim to predict, from theory, the…

Continued scaling into the sub 7 nm regime exacerbates quantum limited resistivity in Cu interconnects. We evaluated layered PdCoO2 and explicitly benchmarked it against Cu to identify mechanisms that maintain conductivity under…

Materials Science · Physics 2025-08-20 Seoung-Hun Kang , Youngjun Lee , Sangmoon Yoon , JongMok Ok , Mina Yoon , Ho Nyung Lee , Young-Kyun Kwon

It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the…

Both cuprates and iron-based superconductors demonstrate nematicity, defined as the spontaneous breaking of rotational symmetry in electron systems. The nematic state can play a role in the high-transition-temperature superconductivity of…

Resistivity augmentation in nanoscale metal interconnects is a performance limiting factor in integrated circuits. Here we present calculations of electron scattering and transmission at the interface between Cu interconnects and their…

Mesoscale and Nanoscale Physics · Physics 2009-11-30 Baruch Feldman , Scott T. Dunham

Neuromorphic computing circuits can be realized using memristors based on low-dimensional materials enabling enhanced metal diffusion for resistive switching. Here, we investigate memristive properties of vertically aligned MoS$_2$…

As a typical immiscible binary system, copper (Cu) and lithium (Li) show no alloying and chemical intermixing under normal circumstances. A notable example that takes advantages of the immiscibility between Cu and Li is the widespread…

Materials Science · Physics 2018-05-22 Muhua Sun , Jiake Wei , Zhi Xu , Qianming Huang , Yu Zhao , Wenlong Wang , Xuedong Bai

Protected surface states arising from non-trivial bandstructure topology in semimetals can potentially enable new device functionalities in compute, memory, interconnect, sensing, and communication. This necessitates a fundamental…

Combination of electrical conductivity and optical transparency in the same material -- known to be a prerogative of only a few oxides of post-transition metals, such as In, Sn, Zn and Cd -- manifests itself in a distinctive band structure…

Materials Science · Physics 2009-11-13 J. E. Medvedeva

We present a computational framework that integrates machine learning with high-throughput \textit{ab initio} calculations to screen over 2.8 million compounds for metallic transport. We identify several intermetallic candidates with…

Understanding the interfacial electrical properties between metallic electrodes and low dimensional semiconductors is essential for both fundamental science and practical applications. Here we report the observation of thickness reduction…

Mesoscale and Nanoscale Physics · Physics 2015-02-17 Song-Lin Li , K. Komatsu , Shu Nakaharai , Yen-Fu Lin , M. Yamamoto , X. F. Duan , K. Tsukagoshi

Effects of the Co substitution have been observed on the structural, magnetic and magneto-transport properties of Fe2-xCoxMnSi alloy. Curie temperature (TC) and saturation magnetization (MS) of these alloys increased linearly with the Co…

Strongly Correlated Electrons · Physics 2015-12-01 Lakhan Bainsla , K. G. Suresh , M. Manivel Raja , A. K. Nigam