Anorexia Nervosa Binge Eating Decision Making Dzyaloshinskii-Moriya interaction H adsorption H diffusion Heusler alloy Medicine MgBi2O6 Mo doping Nb (100) surface Obesity Overeating Prussian blue analogue Psychiatry bulk CrSi2 covalent hybridization doping electronic property electronic structure equiatomic quaternary Heusler compounds exchange energy first principles first-principle first-principle calculations first-principles calculation first-principles calculations first-principles method half-metallic material half-metallic materials