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Kvantovokhimicheskikh raschety pokazyvayut zavisimost' stabil'nosti vakansiy monosloya geksagonal'nogo nitrida bora ot deformatsii yacheyki. Naibolee stabil'nymi yavlyayutsya vakansii atomov azota vne zavisimosti ot deformatsii monosloya. Raschety elektronnoy struktury monosloya geksagonal'nogo nitrida bora s vakansiey bora, azota, bivakansiey ili adatomom bora ili azota privodit k poyavleniyu vnedrennykh sostoyaniy v oblasti zapreshchennoy zony. Vse vnedrennye sostoyaniya lokalizovany na atomakh, okruzhayushchikh defekt. V sluchae vakansii bora i azota v monosloe geksagonal'nogo nitrida bora poyavlyaetsya magnitnyy moment, velichina kotorogo zavisit ot otnositel'noy deformatsii yacheyki. Poyavlyaetsya vozmozhnost' magnitnogo uporyadocheniya v monosloe geksagonal'nogo nitrida bora, pri etom rasstoyanie mezhdu vakansiyami v monosloe hBN okazyvaet vliyanie na magnitnoe uporyadochenie. V khode protsessa modelirovaniya migratsii adatoma bora po poverkhnosti monosloya geksagonal'nogo nitrida bora, pokazano, chto, chto dannyy tip budet dostatochno bystro peremeshchat'sya po poverkhnosti, v otlichie ot adatomov azota. Realizatsiya dannykh issledovaniy eksperimental'no pozvolit poluchat' materialy s zadannymi svoystvami dlya primeneniya v nanoelektronike.
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