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Related papers: Tackling Disorder in $\gamma$-Ga$_2$O$_3$

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The structural properties of Thallium (III) oxide (Tl2O3) have been studied both experimentally and theoretically under compression at room temperature. X-ray powder diffraction measurements up to 37.7 GPa have been complemented with ab…

Oxide-based two-dimensional electron gases (2DEGs) have generated significant interest due to their potential for discovering novel physical properties. Among these, 2DEGs formed in KTaO3 stand out due to the recently discovered crystal…

Materials Science · Physics 2023-08-17 E. A. Martínez , J. Dai , M. Tallarida , N. M. Nemes , F. Y. Bruno

We investigate the interplay of the electronic and structural transition in La$_{0.2}$Sr$_{0.8}$MnO$_{3}$. The transport and specific heat measurements exhibit unusual evolutions and signature of a first order phase transition around 265 K.…

Strongly Correlated Electrons · Physics 2009-11-13 R. Bindu , Kalobaran Maiti , R. Rawat , S. Khalid

We investigate the local atomic and electronic structure, thermodynamic stability, and defect chemistry of $A_{6}B_{2}$O$_{17}$ ($A$ = Zr/Hf, $B$ = Nb/Ta) oxides using first-principles density functional theory (DFT) calculations. We…

Materials Science · Physics 2025-09-24 Jacob T. Sivak , R. Jackson Spurling , Jon-Paul Maria , Susan B. Sinnott

With the development of electronic structure theory, a new class of materials - quantum ones has been recognized by the community. Traditionally, it has been believed that the properties of such compounds cannot be described within the…

Materials Science · Physics 2023-11-10 Himanshu Joshi , Mateusz Wlazło , Harshan Reddy Gopidi , Oleksandr I. Malyi

A combined experimental and theoretical investigation of the electronic structure of the archetypal oxide heterointerface system LaAlO3 on SrTiO3 is presented. High-resolution, hard x-ray photoemission is used to uncover the occupation of…

Electric field gradient effects induced by an asymmetrically in-plane shaped GaAs/AlGaAs modulation-doped structures of various design are investigated within 4-300 K temperature range. It is demonstrated that current-voltage…

Gallium oxide with a corundum structure ({\alpha}-Ga2O3) has recently attracted great attention in view of electronic and photonic applications due to its unique properties including a wide band gap exceeding that of the most stable beta…

Charge density wave (CDW) systems are proposed to exhibit application potential for electronic and optoelectronic devices. Therefore, identifying new materials that exhibit a CDW state at room temperature is crucial for the development of…

Holding promising applications in power electronics, the wide band gap material gallium oxide has emerged as a vital alternative to materials like GaN and SiC. The detailed study of phonon modes in $\beta$-Ga$_{2}$O$_{3}$ provides insights…

La$_2$NiO$_{4+\delta}$ has attracted increasing interest in recent years, both as oxygen electrode in solid oxide fuel cells and electrolysers due to its high electrochemical activity at intermediate to high temperatures, and as key…

Materials Science · Physics 2025-07-03 Adeel Riaz , Alexander Stangl , Mónica Burriel , Michel Mermoux

Recently, high-temperature superconductivity has been established in bilayer La3Ni2O7, which exhibits a density-wave (DW) transition at ~ 150 K under ambient pressure. The DW order is believed to be linked to superconductivity, as it is…

The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…

Materials Science · Physics 2017-04-18 M. A. Ali , M. R. Khatun , N. Jahan , M. M. Hossain

Here, we use atomic resolution scanning transmission electron microscopy (STEM) and first principles calculations to study the atomic and electronic structure of strongly charged domain walls in $\alpha$-In$_2$Se$_3$. STEM imaging and…

High-quality dielectric-semiconductor interfaces are critical for reliable high-performance transistors. We report the in-situ metalorganic chemical vapor deposition (MOCVD) of Al$_2$O$_3$ on $\beta$-Ga$_2$O$_3$ as a potentially better…

We studied the electronic structure Bi(2)Se(3) employing density functional theory. The calculations show that the Dirac states primarily consists of the states at the interface of surface and sub-surface quintuple layers and the emergence…

Materials Science · Physics 2015-02-13 Deepnarayan Biswas , Kalobaran Maiti

The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…

Materials Science · Physics 2019-05-09 Kyeong Tae Kang , Jeongmin Park , Dongseok Suh , Woo Seok Choi

We present a comprehensive ellipsometric study of an untwinned, nearly stoichiometric LaMnO_3 crystal in the spectral range 1.2-6.0 eV at temperatures 20 K < T < 300 K. The complex dielectric response along the b and c axes of the Pbnm…

Strongly Correlated Electrons · Physics 2015-05-13 N. N. Kovaleva , Andrzej M. Oles , A. M. Balbashov , A. Maljuk , D. N. Argyriou , G. Khaliullin , B. Keimer

We have investigated the properties of the $\beta$-Ga$_2$O$_3$($\bar201$)/HfO$_2$/Cr/Au MOS (metal-oxide-semiconductor) system after annealing (450$^\circ$C) in different ambient conditions (forming gas, N$_2$ and O$_2$). Defect properties…

Beta-phase Ga2O3 has emerged as a promising candidate for a wide range of device applications, including power electronic devices, radio-frequency devices and solar-blind photodetectors. The wide bandgap energy and the predicted high…