Related papers: High-throughput computational screening for bipola…
Diluted magnetic semiconductors (DMSs) based on group-IV materials are desirable for spintronic devices compatible with current silicon technology. In this work, amorphous Mn-doped SiGe thin films were first fabricated on Ge substrates by…
The seeking of room temperature ferromagnetic semiconductors, which take advantages of both the charge and spin degrees of freedom of electrons to realize a variety of functionalities in devices integrated with electronic, optical, and…
We propose an experiment-based strategy for finding new high transition temperature superconductors that is based on the well-established spin fluctuation magnetic gateway to superconductivity in which the attractive quasiparticle…
We formulate a complete microscopic theory of a coupled pair of bound magnetic polarons, the bound-magnetic-polaron molecule (BMPM) in a diluted magnetic semiconductor (DMS) by taking into account both a proper two-body nature of the…
High-entropy MBenes (HE-MBenes) represent a promising, unexplored class of 2D materials for electrocatalysis. In this work, we present a systematic computational screening of 56 equiatomic quinary HE-MBene compositions from the {Ti, V, Cr,…
In this paper, we investigate CoFeCrAl alloy by means of various experimental techniques and ab-initio calculations to look for half-metallic nature. The alloy is found to exist in the cubic Heusler structure, with presence of B2 ordering.…
This work discusses the design and testing of a new computational spintronics research software. Boris is a comprehensive multi-physics open-source software, combining micromagnetics modelling capabilities with drift-diffusion spin…
Metal-insulator transition (MIT) materials are a useful platform for emerging microelectronic, optoelectronic, and neuromorphic devices, but their discovery is hindered by the high computational cost of electronic structure modeling, the…
Two-dimensional (2D) high-temperature ferromagnetic materials are important for spintronic application. Fortunately, a highly-air-stable PdSe$_2$ monolayer semiconductor has been made through exfoliation from the layered bulk material. It…
High-throughput (HTP) $ab$ $initio$ calculations are performed on 27,865 Heusler compositions, covering a broad range of regular, inverse, and half-Heusler compounds in both cubic and tetragonal phases. In addition to conventional stability…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
The direct control of carriers spin by electric field under room temperature is one of the most important challenges in the field of spintronics. For this purpose, we here propose a quaternary Heusler alloy FeVTiSi. Based on first…
Two-dimensional (2D) materials with robust magnetism have drawn immense attention for their promising applications in spintronics. Recently, intrinsic ferromagnetic vanadium triiodide (VI3) has been synthesized experimentally. To enhance…
We develop a technique for predicting the Curie temperature of magnetic materials using density functional theory calculations suitable to include in high-throughput frameworks. We apply four different models, including physically relevant…
Two-dimensional (2D) intrinsic magnetic materials with high Curie temperature (Tc) coexisting with 100% spin-polarization are highly desirable for realizing promising spintronic devices. In the present work, the intrinsic magnetism of…
Due to their chemical and structural diversity, nanoporous materials can be used in a wide variety of applications, including fluid separation, gas storage, heterogeneous catalysis, drug delivery, etc. Given the large and rapidly increasing…
A bismuth-doped silicon substrate was analyzed by using a magnetometer based on a superconducting flux qubit. The temperature dependence of the magnetization indicates that the silicon substrate contains at least two signal sources,…
Diluted magnetic semiconductors (DMS) have received much attention due to its potential applications to spintronics devices. A prototypical system (Ga,Mn)As has been widely studied since 1990s. The simultaneous spin and charge doping via…
The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of…
The combination of semiconducting properties and synthetically tunable chirality in chiral metal halide semiconductors (CMHS) offer a compelling platform for room temperature control over electronic spin properties, leveraging effects such…