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La$_{3}$Ni$_{2}$O$_{7}$ has garnered widespread interest recently due to its high-temperature superconductivity under pressure, accompanied by charge density wave (CDW) ordering and metal-insulator (MI) transitions in the phase diagram. Here, we reveal with comprehensive calculations that La$_{3}$Ni$_{2}$O$_{7}$ possesses an antiferromagnetic ground state under both low and high pressures, with the strong Fermi surface nesting contributed by the flat band that leads to phonon softening and electronic instabilities. Several stable CDW orders with oxygen octahedral distortions are identified, which can trigger the MI transitions. The estimated CDW transition temperature ($\approx$120 K) at ambient pressure agrees nicely with experimental results. In the presence of apical oxygen vacancies, we identify two different phases, say, half distortion and full distortion phases, respectively, and their competition can lead to a pressure-induced MI transition, in good agreement with experimental observations. In addition, we find that the electron-phonon coupling is too small to contribute to superconductivity. These results appear to indicate an unconventional superconducting pairing mechanism mediated by antiferromagnetic fluctuations. A phase diagram that is consistent with the experimental results is given. The present results not only explain the origins of experimentally observed CDW and MI transitions, but also provide insight for deeply understanding the properties like superconductivity, CDW and the role of oxygen vacancies in pressurized La$_{3}$Ni$_{2}$O$_{7}$.

To realize room temperature ferromagnetic semiconductors is still a challenge in spintronics. Recent experiments have obtained two-dimensional (2D) room temperature ferromagnetic metals, such as monolayer MnSe2. In this paper, we proposed a way to obtain room temperature ferromagnetic semiconductors through metal-semiconductor transition. By the density functional theory calculations, a room temperature ferromagnetic semiconductor is obtained in monolayer MnSe2 with a few percent tensile strains, where a metal-semiconductor transition occurs with 2.2% tensile stain. The tensile stains raise the energy of d orbitals of Mn atoms and p orbitals of Se atoms near the Fermi level, making the Fermi level sets in the energy gap of bonding and antibonding states of these p and d orbitals, and opening a small band gap. The room temperature ferromagnetic semiconductors are also obtained in the heterostructures MnSe2/X (X = Al2Se3, GaSe, SiH, and GaP), where metal-semiconductor transition happens due to the tensile strains by interface of heterostructures. In addition, a large magneto-optical Kerr effect (MOKE) is obtained in monolayer MnSe2 with tensile strain and MnSe2-based heterostructures. Our theoretical results pave a way to obtain room temperature magnetic semiconductors from experimentally obtained 2D room temperature ferromagnetic metals through metal-semiconductor transitions.

Doping nonmagnetic semiconductors with magnetic impurities is a feasible way to obtain diluted magnetic semiconductors (DMSs). It is generally accepted that for the most extensively studied DMS, (Ga, Mn)As, its highest Curie temperature T$_{\text{C}}$ was achieved at 200 K with a Mn concentration of approximately 16% in experiments. A recent experiment reported record-breaking high electron and hole mobilities in the semiconductor BAs [Science 377, 437 (2022)]. Since BAs shares the same zinc-blende structure with GaAs, here we predict four DMSs (B, Mn)X (X = N, P, As, Sb) by density functional theory calculations. Our results indicate that a significantly higher T$_{\text{C}}$ in the range of 254 K to 300 K for (B, Mn)As with a Mn concentration of around 15.6%, and even higher T$_{\text{C}}$ values above the room temperature for (B, Mn)N and (B, Mn)P with a Mn concentration exceeding 12.5%. Furthermore, we have predicted a large hole mobility of 1561 cm$^{\text{2}}$V$^{\text{-1}}$s$^{\text{-1}}$ at 300 K for (B, Mn)As with a Mn concentration of about 3.7%, which is three orders of magnitude larger than the hole mobility of 4 cm$^{\text{2}}$V$^{\text{-1}}$s$^{\text{-1}}$ at 300 K observed in the experiment for (Ga, Mn)As. Our findings predict the emergence of a new family of DMS, (B, Mn)X, and are expected to stimulate both experimental and theoretical studies of the DMS with high T$_{\text{C}}$ and high mobilities.

To realize room temperature ferromagnetic (FM) semiconductors is still a challenge in spintronics. Many antiferromagnetic (AFM) insulators and semiconductors with high Neel temperature $T_N$ are obtained in experiments, such as LaFeO$_3$, BiFeO$_3$, etc. High concentrations of magnetic impurities can be doped into these AFM materials, but AFM state with very tiny net magnetic moments was obtained in experiments, because the magnetic impurities were equally doped into the spin up and down sublattices of the AFM materials. Here, we propose that the effective magnetic field provided by a FM substrate could guarantee the spin-dependent doping in AFM materials, where the doped magnetic impurities prefer one sublattice of spins, and the ferrimagnetic (FIM) materials are obtained. To demonstrate this proposal, we study the Mn-doped AFM insulator LaFeO$_3$ with FM substrate of Fe metal by the density functional theory (DFT) calculations. It is shown that the doped magnetic Mn impurities prefer to occupy one sublattice of AFM insulator, and introduce large magnetic moments in La(Fe,Mn)O$_3$. For the AFM insulator LaFeO$_3$ with high $T_N$ = 740 K, several FIM semiconductors with high Curie temperature $T_C >$ 300 K and the band gap less than 2 eV are obtained by DFT calculations, when 1/8 or 1/4 Fe atoms in LaFeO$_3$ are replaced by the other 3d, 4d transition metal elements. The large magneto-optical Kerr effect (MOKE) is obtained in these LaFeO$_3$-based FIM semiconductors. In addition, the FIM semiconductors with high $T_C$ are also obtained by spin-dependent doping in some other AFM materials with high $T_N$, including BiFeO$_3$, SrTcO$_3$, CaTcO$_3$, etc. Our theoretical results propose a way to obtain high $T_C$ FIM semiconductors by spin-dependent doping in high $T_N$ AFM insulators and semiconductors.

The two-dimensional (2D) van der Waals ferromagnetic semiconductors, such as CrI$_3$ and Cr$_2$Ge$_2$Te$_6$, and the 2D ferromagnetic metals, such as Fe$_3$GeTe$_2$ and MnSe$_2$, have been obtained in recent experiments and attracted a lot of attentions. The superexchange interaction has been suggested to dominate the magnetic interactions in these 2D magnetic systems. In the usual theoretical studies, the expression of the 2D Heisenberg models were fixed by hand due to experiences. Here, we propose a method to determine the expression of the 2D Heisenberg models by counting the possible superexchange paths with the density functional theory (DFT) and Wannier function calculations. With this method, we obtain a 2D Heisenberg model with six different nearest-neighbor exchange coupling constants for the 2D ferromagnetic metal Cr$_3$Te$_6$, which is very different for the crystal structure of Cr atoms in Cr$_3$Te$_6$. The calculated Curie temperature Tc = 328 K is close to the Tc = 344 K of 2D Cr$_3$Te$_6$ reported in recent experiment. In addition, we predict two stable 2D ferromagnetic semiconductors Cr$_3$O$_6$ and Mn$_3$O$_6$ sharing the same crystal structure of Cr$_3$Te$_6$. The similar Heisenberg models are obtained for 2D Cr$_3$O$_6$ and Mn$_3$O$_6$, where the calculated Tc is 218 K and 208 K, respectively. Our method offers a general approach to determine the expression of Heisenberg models for these 2D magnetic semiconductors and metals, and builds up a solid basis for further studies.

Large-scale magnetic field is crucial in launching and collimating the jets/outflows. It is found that the magnetic flux can be efficiently transported inward by the fast moving corona above a thin disk. In this work we investigate the dynamical structure of the outflows driven by the large-scale magnetic field advected by the hot corona. With derived large-scale magnetic field, the outflow solution along every field line is obtained by solving a set of magneto-hydrodynamical (MHD) Equations self-consistently with boundary conditions at the upper surface of the corona. We find that the terminal speeds of the outflows driven from the inner region of the disk are $\sim 0.01c-0.1c$. The temperatures of the outflows at the large distance from the black hole are still as high as several ten keV. The properties of the magnetic outflows derived in this work are roughly consistent with the fast outflows detected in some luminous quasars and X-ray binaries. The total mass loss rate in the outflows from the corona is about $7\%-12\%$ of the mass accretion rate of the disk. The three dimension field geometry, the velocity, temperature and density of the outflows derived in this work can be used for calculating the emergent spectra and their polarization of the accretion disk/corona/outflow systems. Our results may help understand the features of the observed spectra of X-ray binaries and active galactic nuclei., Comment: accepted for publication in ApJ

The time-scales of the variabilities in changing look (CL) active galactic nuclei (AGNs) are usually at the order of years to tens of years (some of them are even shorter than one year), which are much shorter than the viscous timescale of a standard thin accretion disk. It implies that the variabilities of CL AGNs cannot be reproduced by varying the mass accretion rate of the thin disk. In this work, we employ a magnetic accretion disk-outflow model to calculate the inflow time of the disk predominantly driven by magnetic outflows. In this model, most angular momentum of the gas in the disk is carried away by the outflows, and therefore its radial velocity can be substantially higher than that of a conventional viscous disk. Our calculations show that the inflow time of such a disk with outflows can be around several years to tens years. The calculated spectra of the disk with outflows can fit the observed spectra of a CL AGN Mrk 1018 quite well both in the low and high states. The derived inflow time of such a disk with outflows is around 5 years in the high state, while it becomes $\sim 20$ years in the low state, which is roughly consistent with the observations of the variabilities in Mrk 1018., Comment: 17 pages, 12 figures, accepted for publication in the Astrophysical Journal

Large-scale magnetic field is believed to play a key role in launching and collimating jets/outflows. It was found that advection of external field by a geometrically thin disk is rather inefficient, while the external weak field may be dragged inwards by fast radially moving tenuous or/and hot gas above the thin disk. We investigate the field advection in a thin (cold) accretion disk covered with hot corona, in which turbulence is responsible for the angular momentum transfer of the gas in the disk and corona. The radial velocity of the gas in the corona is significantly higher than that in the thin disk. Our calculations show that the external magnetic flux is efficiently transported inwards by the corona, and the field line is strongly inclined towards the disk surface, which help launching outflows. The field configurations are consistent with those observed in the numerical simulations. The strength of the field is substantially enhanced in the inner region of the disk (usually several orders of magnitude higher than the external field strength), which is able to drive a fraction of gas in the corona into outflows. This mechanism may be useful in explaining the observational features in X-ray binaries and active galactic nuclei. Our results may help understanding the physics of the magneto-hydrodynamic (MHD) simulations., Comment: Accepted for publication on ApJ

Back-streaming neutrons from the spallation target of the China Spallation Neutron Source (CSNS) that emit through the incoming proton channel were exploited to build a white neutron beam facility (the so-called Back-n white neutron source), which was completed in March 2018. The Back-n neutron beam is very intense, at approximately 2*10^7 n/cm^2/s at 55 m from the target, and has a nominal proton beam with a power of 100 kW in the CSNS-I phase and a kinetic energy of 1.6 GeV and a thick tungsten target in multiple slices with modest moderation from the cooling water through the slices. In addition, the excellent energy spectrum spanning from 0.5 eV to 200 MeV, and a good time resolution related to the time-of-flight measurements make it a typical white neutron source for nuclear data measurements; its overall performance is among that of the best white neutron sources in the world. Equipped with advanced spectrometers, detectors, and application utilities, the Back-n facility can serve wide applications, with a focus on neutron-induced cross-section measurements. This article presents an overview of the neutron beam characteristics, the experimental setups, and the ongoing applications at Back-n., Comment: 11 pages, 9 figures