Questionable collapse of the bulk modulus in CrN

被引:79
作者
Alling, Bjorn [1 ]
Marten, Tobias [1 ]
Abrikosov, Igor A. [1 ]
机构
[1] Linkoping Univ, Dept Phys Chem & Biol, SE-58183 Linkoping, Sweden
关键词
D O I
10.1038/nmat2722
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:283 / 284
页数:2
相关论文
共 10 条
[1]   Comparison of thermodynamic properties of cubic Cr1-xAlxN and Ti1-xAlxN from first-principles calculations [J].
Alling, B. ;
Marten, T. ;
Abrikosov, I. A. ;
Karimi, A. .
JOURNAL OF APPLIED PHYSICS, 2007, 102 (04)
[2]   Mixing and decomposition thermodynamics of c-Ti1-xAlxN from first-principles calculations [J].
Alling, B. ;
Ruban, A. V. ;
Karimi, A. ;
Peil, O. E. ;
Simak, S. I. ;
Hultman, L. ;
Abrikosov, I. A. .
PHYSICAL REVIEW B, 2007, 75 (04)
[3]   PROJECTOR AUGMENTED-WAVE METHOD [J].
BLOCHL, PE .
PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979
[4]   Competition between magnetic and structural transitions in CrN [J].
Filippetti, A ;
Pickett, WE ;
Klein, BM .
PHYSICAL REVIEW B, 1999, 59 (10) :7043-7050
[5]   Band gap in epitaxial NaCl-structure CrN(001) layers [J].
Gall, D ;
Shin, CS ;
Haasch, RT ;
Petrov, I ;
Greene, JE .
JOURNAL OF APPLIED PHYSICS, 2002, 91 (09) :5882-5886
[6]   Relationships between composition and properties of (Cr/Ti)SiN and (Cr/Ti)CN alloys: an ab initio study [J].
Houska, J. ;
Klemberg-Sapieha, J. E. ;
Martinu, L. .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2009, 21 (28)
[7]   AB-INITIO MOLECULAR-DYNAMICS FOR OPEN-SHELL TRANSITION-METALS [J].
KRESSE, G ;
HAFNER, J .
PHYSICAL REVIEW B, 1993, 48 (17) :13115-13118
[8]  
Rivadulla F, 2009, NAT MATER, V8, P947, DOI [10.1038/NMAT2549, 10.1038/nmat2549]
[9]   Electronic properties of Cr1-xAlxN thin films deposited by reactive magnetron sputtering [J].
Sanjinés, R ;
Banakh, O ;
Rojas, C ;
Schmid, PE ;
Lévy, F .
THIN SOLID FILMS, 2002, 420 :312-317
[10]   SPECIAL QUASIRANDOM STRUCTURES [J].
ZUNGER, A ;
WEI, SH ;
FERREIRA, LG ;
BERNARD, JE .
PHYSICAL REVIEW LETTERS, 1990, 65 (03) :353-356