Bending Tailored Magnetic and Electronic Properties of Monolayer CrI 3 : A Density Functional Theory Study [0.03%]
单层CrI₃的磁性和电子性质的调控：基于密度泛函理论的研究
Lizhao Liu,Mengying Huang,Lei Jiao
Lizhao Liu
The curved magnetism is of great importance in flexomagnetic devices. CrI3, two-dimensional magnetic material, has emerged as promising platforms for spintronic and quantum applications. Here we studied the impact of bending strain on the m...
Robust structural stability in tI2-La with constant axial ratio under pressures exceeding 330 GPa [0.03%]
压力超过330 GPa时碘化锂中具有恒定轴比的鲁棒结构稳定性
Mingyu Li,Hongkai Li,Xiao Kuan Hao et al.
Mingyu Li et al.
Using synchrotron X-ray diffraction, this study systematically investigated the crystal structures, equations of state, and compressibility of lanthanum under pressures reaching 337.2 GPa. A sequential phase transition series was observed: ...
Sheetal Jain,Christopher John Smit Heath,Dixshant Shree Shreemal et al.
Sheetal Jain et al.
We carried out X-ray diffraction and Extended X-ray Absorption Fine Structure (EXAFS) studies to investigate the origin of the low lattice thermal conductivity in BiCuSeO, and the role of silver (Ag) doping in doped samples. BiCuSeO is a pr...
Neven Barisic,D K Sunko
Neven Barisic
Murunskite K2Cu3FeS4is a representative sulfosalt, isostructural to the pnictides, but with electronic properties more similar to the insulating parent compounds of the cuprates. We use it as a bridge to compare the chemical and physical ro...
A comparative ab initio study of collective dynamics in Al90Si10 and Al90Mg10 liquid alloys [0.03%]
Al90Si10和Al90Mg10液态合金集体动力学的从头算比较研究
Taras Bryk,Noel Jakse
Taras Bryk
Dispersion of acoustic and optic collective excitations are comparatively studied in two Al-based liquid metallic alloys, which contain ten atomic percent of Si with four valence electrons or Mg with two ones. Partial density-density and cu...
Nanoscale doping and mixing of binary oxide thin films : Concepts, properties and applications [0.03%]
二元氧化物薄膜的纳米级掺杂与混合：概念、性质和应用
Claudine Noguera,Niklas Nilius,Jacek Goniakowski
Claudine Noguera
Oxide thin films are nowadays recognized as essential ingredients in many areas of modern technology. While binary oxides already exhibit a rich variety of structural, electronic, magnetic, and chemical properties, doping or mixing them wit...
Impact of interlayer distance on the electronic properties of WS₂/WSe₂ semiconducting heterobilayer [0.03%]
层间距对WS₂/WSe₂半导体异质双层电子性能的影响研究
Emna Ben Salem,Mouna Triki
Emna Ben Salem
In this work, we employed Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA) framework to investigate the electronic properties of a semiconducting WS2/WSe2 heterobilayer with an AA' stacking configuration. ...
J E Hirsch
J E Hirsch
The Meissner effect, the expulsion of magnetic field from the interior of a metal entering the superconducting state, is arguably the most fundamental property of superconductors, discovered in 1933. The conventional theory of superconducti...
Electronic structure of Mn-doped GeO2 wide gap semiconductor: a hybrid density functional study [0.03%]
锰掺杂的二氧化锗宽带隙半导体的电子结构：杂化密度泛函研究
Farid Allaoua,Abdesalem Houari
Farid Allaoua
We explore the effects of Mn substitution on GeO2in its bulk rutile structure, using density functional theory (DFT) with both GGA and the PBE0r hybrid functional. Our objective is to assess the potential emergence of half-metallic (or semi...
Extraction of band gap energies and composition of mixed-phase polycrystalline semiconductors; a possible alternative method [0.03%]
宽带隙半导体材料混合相多晶薄膜的禁带宽度和组分测定的一种可能替代方法
Hicham Idriss
Hicham Idriss
The optical band gap energy, Eg, of semiconductors is routinely determined using UV-Vis absorption measurements followed by Tauc-plot analysis. This method requires knowledge of the Tauc exponent n, which corresponds to the nature of the el...