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We report an observation of metal-insulator transition in a thin film of SnSe$_2$. The room-temperature carrier concentration of SnSe$_2$ film was increased by electrostatic doping to 1.14$\times$ 10$^{13}$ cm$^{-2}$. A crossover from…

Materials Science · Physics 2025-07-22 Aarti Lakhara , Lars Thole , Rolf J. Haug , P. A. Bhobe

Self-heating in next-generation, high-power-density field-effect transistor limits performance and complicates fabrication. Here, we introduce NEP-FET, a machine-learned framework for device-scale heat transport simulations of field-effect…

Materials Science · Physics 2025-11-26 Ke Xu , Gang Wang , Ting Liang , Yang Xiao , Dongliang Ding , Haichang Guo , Xiang Gao , Lei Tong , Xi Wan , Gang Zhang , Jianbin Xu

Electron transfer (ET) in molecular donor-acceptor dye systems is crucial for charge transport in organic semiconductors. Classically, ET rates should decrease with increasing donor-acceptor distance while the microscopic mechanism is more…

In pursuit of an all-inorganic non-toxic perovskite solar cell (PSC) with enhanced performance, we have investigated the rhombohedral phase of the germanium-based rubidium halide perovskites RbGeX$_3$ (X = Cl, Br, I). The structural…

Materials Science · Physics 2025-05-15 Piyush Kumar Dash , Palash Banarjee , Anupriya Nyayban , Subhasis Panda

Stability and toxicity issues with the hybrid lead iodide perovskite MAPbI$_3$ necessitate a hunt for potential alternatives. Here, we shed light on promising photovoltaic properties of gold mixed-valence halide perovskites…

Materials Science · Physics 2020-01-07 Jiban Kangsabanik , Supriti Ghorui , M. Aslam , Aftab Alam

Metal halide perovskite semiconductors have outstanding optoelectronic properties. Although these perovskites are defect-tolerant electronically, defects hamper their long-term stability and cause degradation. Density functional theory…

Materials Science · Physics 2021-09-02 Haibo Xue , Geert Brocks , Shuxia Tao

Fundamentally understanding the lattice dynamics and microscopic mechanisms of thermal transport in cubic hybrid organic-inorganic perovskites remains elusive, primarily due to their strong anharmonicity and frequent phase transitions. In…

Two-dimensional (2D) materials are a new class of materials with interesting physical properties and applications ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of…

Materials Science · Physics 2022-04-12 Lianhua Zhang , Jian Chen , Fei Liu , Zhengyang Du , Yilun Jiang , Min Han

In the search for stable lead (Pb) free perovskites, Vacancy ordered double perovskite (VODP), A$_2$BX$_6$ has emerged as a promising class of materials for solar harvesting owing to their nontoxicity, better stability, and unique…

Materials Science · Physics 2023-09-13 Supriti Ghorui , Jiban Kangsabanik , M. Aslam , Aftab Alam

Hybrid heterostructure based phototransistors are attractive owing to their high gain induced by photogating effect. However, the absence of an in-plane built-in electric field in the single channel layer transistor results in a relatively…

Materials Science · Physics 2023-01-10 Shreyasi Das , Arup Ghorai , Sourabh Pal , Somnath Mahato , Soumen Das , Samit K. Ray

The 2D/3D construction of hybrid perovskite interfaces is gaining increasing attention due to their enhanced stability towards degradation without compromising the corresponding solar cell efficiency. Much of it is due to the interfacial…

Materials Science · Physics 2025-07-17 Hrishit Banerjee , Md. Khaja Nazeeruddin , Sudip Chakraborty

Despite significant advances in lead-free perovskite photovoltaics, achieving a balance among environmental safety and high optoelectronic performance remains challenging. The inorganic double perovskite Cs2AgBiBr6 has emerged as a…

Materials Science · Physics 2026-02-18 Md Shanian Moed , Adnan Amin Siddiquee , Md Tashfiq Bin Kashem

Great success has been achieved in improving the photovoltaic energy conversion efficiency of the organic-inorganic perovskite-based solar cells, but with very limited knowledge on the thermal transport in hybrid perovskites, which would…

Materials Science · Physics 2016-03-02 Xin Qian , Xiaokun Gu , Ronggui Yang

Transient opto-electrical measurements of methylammonium lead iodide (MALI) perovskite solar cells (PSCs) are performed and analyzed in order to elucidate the operating mechanisms. The current response to a light pulse or voltage pulse…

Materials Science · Physics 2016-11-22 Martin Thomas Neukom

In this work, the performance of Tunnel Field-Effect Transistors (TFETs) based on two-dimensional Transition Metal Dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. One of the major challenges of…

Electron spectrum of 2D and 3D antiferromagnetic metals is calculated with account of spin-fluctuation corrections within perturbation theory in the s-f exchange model. Effects of the interaction of conduction electrons with spin waves in…

Strongly Correlated Electrons · Physics 2009-10-31 V. Yu. Irkhin , M. I. Katsnelson

Hybrid halide perovskites such as methylammonium lead iodide (CH3NH3PbI3) exhibit unusually low free carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations,…

Materials Science · Physics 2015-03-06 Aron Walsh , David O. Scanlon , Shiyou Chen , Xingao Gong , Su-Huai Wei

The significant surge in energy use and escalating environmental concerns have sparked worldwide interest towards the study and implementation of solar cell technology. Perovskite solar cells (PSCs) have garnered remarkable attention as an…

Materials Science · Physics 2025-06-23 Md Yekra Rahman , Sharif Mohammad Mominuzzaman

Here we develop a microscopic approach aimed at the description of a suite of physical effects related to carrier transport in, and the optical properties of, halide perovskites. Our theory is based on the description of the nuclear…

Materials Science · Physics 2018-11-13 Matthew Z. Mayers , Liang Z. Tan , David A. Egger , Andrew M. Rappe , David R. Reichman

Paraelectrical tuning of a charge carrier density as high as 10$^{13}$\,cm$^{-2}$ in the presence of a high electronic carrier mobility on the delicate surfaces of correlated oxides, is a key to the technological breakthrough of a field…