1ST-PRINCIPLES INVESTIGATION OF METAL-HYDROGEN INTERACTIONS IN NBH

被引:43
作者
HO, KM [1 ]
TAO, HJ [1 ]
ZHU, XY [1 ]
机构
[1] IOWA STATE UNIV SCI & TECHNOL,DEPT PHYS,AMES,IA 50011
关键词
D O I
10.1103/PhysRevLett.53.1586
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
收藏
页码:1586 / 1589
页数:4
相关论文
共 40 条
[1]   PHASE-CHANGES IN THE NIOBIUM-HYDROGEN SYSTEM .3. ACOUSTIC STUDIES OF HYDRIDE PHASE-TRANSITIONS AT H/NB = 0.78 [J].
AMANO, M ;
MAZZOLAI, FM ;
BIRNBAUM, HK .
ACTA METALLURGICA, 1983, 31 (10) :1549-1557
[2]   INELASTIC NEUTRON-SCATTERING STUDIES OF VIBRATIONAL EXCITATIONS OF HYDROGEN IN NB AND TA [J].
ECKERT, J ;
GOLDSTONE, JA ;
TONKS, D ;
RICHTER, D .
PHYSICAL REVIEW B, 1983, 27 (04) :1980-1990
[3]   DIFFUSION OF H AND D IN NB AND TA AT LOW-TEMPERATURES [J].
ENGELHARD, J .
JOURNAL OF PHYSICS F-METAL PHYSICS, 1979, 9 (11) :2217-2229
[4]   1ST-PRINCIPLES CALCULATION OF THE EQUILIBRIUM GROUND-STATE PROPERTIES OF TRANSITION-METALS - APPLICATIONS TO NB AND MO [J].
FU, CL ;
HO, KM .
PHYSICAL REVIEW B, 1983, 28 (10) :5480-5486
[5]   EXCHANGE AND CORRELATION IN ATOMS, MOLECULES, AND SOLIDS BY SPIN-DENSITY FUNCTIONAL FORMALISM [J].
GUNNARSSON, O ;
LUNDQVIST, BI .
PHYSICAL REVIEW B, 1976, 13 (10) :4274-4298
[6]   TRENDS IN THE ELECTRON-PHONON COUPLING PARAMETER IN SOME METALLIC HYDRIDES [J].
GUPTA, M ;
BURGER, JP .
PHYSICAL REVIEW B, 1981, 24 (12) :7099-7111
[7]   NORM-CONSERVING PSEUDOPOTENTIALS [J].
HAMANN, DR ;
SCHLUTER, M ;
CHIANG, C .
PHYSICAL REVIEW LETTERS, 1979, 43 (20) :1494-1497
[8]   ORDERING OF HYDROGEN IN NIOBIUM HYDRIDE PHASES [J].
HAUCK, J .
ACTA CRYSTALLOGRAPHICA SECTION A, 1977, 33 (JAN1) :208-211
[9]   EXPLICIT LOCAL EXCHANGE-CORRELATION POTENTIALS [J].
HEDIN, L ;
LUNDQVIS.BI .
JOURNAL OF PHYSICS PART C SOLID STATE PHYSICS, 1971, 4 (14) :2064-&
[10]   VIBRATIONAL FREQUENCIES VIA TOTAL-ENERGY CALCULATIONS - APPLICATIONS TO TRANSITION-METALS [J].
HO, KM ;
FU, CL ;
HARMON, BN .
PHYSICAL REVIEW B, 1984, 29 (04) :1575-1587