Ab initio study of alloying of MnBi to enhance the energy product

Abstract

The DFT calculations show that filing empty interstitial sites of MnBi leads to stable alloys with Li, O, F, Sc, Y, Rh, Pd among which alloy with Li, O, Rh, Pd and Pt have larger magnetization and enhanced energy products (up to 20%) than bulk MnBi.

Enhanced Li-Ion Diffusivity of LiFePO4 by Ru Doping: Ab Initio and Machine Learning Force Field Results

“…It is known that local crystal structure, electronic configuration, and ionic diffusion can be enhanced by surface engineering, for example, coating with carbon, minimizing the particle size at the nanoscale, and doping with suitable dopants . The carbon coating ,− improves the electron conductivity by forming the interparticle charge-conduction layers with enhanced charge mobility.…”

Magnetic order in a quenched-high-temperature-phase of Cu-doped MnBi

“…16 The existence of the QHTP-MnBi limits the application of MnBi due to the antiferromagnetic (AFM) interaction between the interstitial Mn site and the original Mn site, which weakens the FM coupling in MnBi. [18][19][20] Many efforts have been made to suppress the peritectic decomposition and optimize the magnetic properties of MnBi, such as Cr-doped MnBi, 21 Ga-doped MnBi, 22,23 Fe-doped MnBi 24 and carbon-modified MnBi, 25 however, obstacles towards single-phase product still persist. Cu-doped MnBi with LTP-MnBi structure was also investigated in both film and bulk forms.…”

Modifying magnetic properties of MnBi with carbon: an experimental and theoretical study

“…In order to advance the field, it is necessary to develop rare-earth and expensive-metal-free permanent-magnet materials with good high-temperature properties. Some promising candidates of rare-earth-free, low-cost permanent magnets are MnBi, Mn 2 Ga, FeNi, (Fe, Co) 2 B, YCo 5, and HfCo 7 [8][9][10][11][12][13][14][15][16][17][18][19][20][21]. Among these low-cost magnets, MnBi has a special advantage where the magnetic anisotropy increases with the increasing temperature reaching a maximum value of about 22 Mergs cm −3 at 590 K [9][10][11][12][13][14][15][16].…”

“…Some promising candidates of rare-earth-free, low-cost permanent magnets are MnBi, Mn 2 Ga, FeNi, (Fe, Co) 2 B, YCo 5, and HfCo 7 [8][9][10][11][12][13][14][15][16][17][18][19][20][21]. Among these low-cost magnets, MnBi has a special advantage where the magnetic anisotropy increases with the increasing temperature reaching a maximum value of about 22 Mergs cm −3 at 590 K [9][10][11][12][13][14][15][16]. This makes MnBi magnets more stable against thermal demagnetization than Nd-Fe-B magnets above room temperature.…”