INVESTIGATION OF THE MAGNETIC-STRUCTURE OF CRN

被引：17

作者：

MAVROMARAS, A

MATAR, S

SIBERCHICOT, B

DEMAZEAU, G

机构：

[1] UNIV BORDEAUX 1,CNRS,LCS,351 COURS LIBERAT,F-33405 TALENCE,FRANCE

[2] CEA,CTR ETUDES LIMEIL,F-94195 VILLENEUVE,FRANCE

来源：

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 1994年 / 134卷 / 01期

关键词：

12;

D O I：

10.1016/0304-8853(94)90069-8

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Self-consistent band structure calculations within the local spin density approximation (LSDA) were carried out for CrN in the cubic (B1) and in the orthorhombic structures. Nonmagnetic (NSP), ferromagnetic (F) as well as antiferromagnetic (AF) ground states were assumed. Within the experimentally observed orthorhombic structure of CrN (T(N) = 273 K) our results show a descending order of the ground state energies: NSP > F > AF. Further stabilization of the AF configuration is achieved when spins compensate within one plane, yielding a moment of 2.44mu(B) carried by chromium, which is in good agreement with experiment.

引用

页码：34 / 40

页数：7

共 12 条

[1]

CORLISS LM, 1960, PHYS REV, V1171, P929

[2]

LINKER G, 1986, J PHYS F MET PHYS, V161, P2167

[3] BAND-GAP THEORY OF STRONG FERROMAGNETISM - APPLICATION TO CONCENTRATED CRYSTALLINE AND AMORPHOUS FE-METALLOID AND CO-METALLOID ALLOYS [J].

MALOZEMOFF, AP ;

WILLIAMS, AR ;

MORUZZI, VL .

PHYSICAL REVIEW B, 1984, 29 (04) :1620-1632

[4] INVESTIGATION OF THE ELECTRONIC AND MAGNETIC-STRUCTURE OF CRO2 [J].

MATAR, S ;

DEMAZEAU, G ;

STICHT, J ;

EYERT, V ;

KUBLER, J .

JOURNAL DE PHYSIQUE I, 1992, 2 (03) :315-328

[5]

MATTHEISS LF, 1972, PHYS REV B, V15, P315

[6]

MOHN P, 1988, J PHYSIQUE, V12

[7]

NASREDDINE M, 1969, CR HEBD ACAD SCI, V2691, P574

[8]

PAPACONSTANTOPO.DA, 1985, PHYS REV B, V311, P3177

[9]

ROBERTS BW, 1976, J PHYS CHEM REF DATA, V51, P541

[10] CHEMICAL BONDING IN RUTILE-TYPE COMPOUNDS [J].

SORANTIN, PI ;

SCHWARZ, K .

INORGANIC CHEMISTRY, 1992, 31 (04) :567-576

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