First principles density functional calculations of half-metallic ferromagnetism in Zn1-xCrxS and Cd1-xCrxS

First-principles investigation of structural, elastic, electronic and magnetic properties of Be0.75Co0.25Y (YS, Se and Te) compounds

“…For instance, those properties of materials (non-magnetic and magnetic) [5][6][7][8] which were difficult to be achieved previously by experiments means or required a high degree of imagination are now possible to be modeled in virtual reality and be explained.…”

First-principles study on the ferrimagnetic half-metallic Mn2FeAs alloy

“…During the past decades, the half-metallic materials have attracted so much attention due to their great potential in the field of spintronics device application [1][2][3][4][5][6][7][8][9][10], such as tunnelling magnetoresistance (TMR) devices [11], magnetic tunnel junctions [12,13] and spin injection devices [14]. The concept of half-metallic property was initially proposed by De Groot et al basing on NiMnSb half-Heusler alloy calculations [15], which behaved as the metal for one spin direction and as the semiconductor or isolator for the opposite spin direction.…”

First principle study on the electronic and magnetic properties in Zn0.75Cr0.25M (M=S, Se, Te) semiconductors

“…Meanwhile, II-VI semiconductors can be doped with larger concentration of 3d elements up to 25%, much larger than III-V semiconductors [10]. For instance, wurtzite ZnS semiconductor doped with Cr, Mn, Fe, Co, Ni [11], Zn 0.75 Cr 0.25 S and Cd 0.75 Cr 0.25 S [12], Zn 0.75 TM 0.25 S (TM = Fe, Co and Ni) [13] and Zn 1Àx A x B diluted magnetic semiconductors [14] etc. have been discussed theoretically.…”