Ground State Properties of Rock Salt, CsCl, Diamond and Zinc Blende Structured Solids

Table 3: In this Table we have Presented Theoretical (Theo.), Experimental (Exp.) and Calculated Values of Cohesive Energy (E_coh in kcal/mol.) and Isothermal Bulk Modulus (B in GPa) for Alkali Halides and Alkaline Earth Chalcogenides, Group IV and II-VI Semiconductors

Solids	ħω_p^[²¹]	E_coh.^theo.	E_coh.^exp.	E_coh.^{This work}	B ^theo.	B ^exp.	B ^{This work}
MgO	24.27	1002^a	932^a^,^b	984	162^g	165^e	166
CaO	19.61	871^a	839^a^,^b	874	114^c	111^g	108
SrO	17.35	811^a	796^a^,^b	816	88^c	89^g	85
BaO	15.73	756^a	786^a^,^b	772	61^c	75^f, 74^g	70
MgS	18.28	816^a	896^a	840			94
CaS	15.16	715^a	764^a	756			65
SrS	14.32	652^a	720^a	733			58
BaS	12.90	632^a	679^a	691			47
MgSe	16.45	726^a	780^a	792			76
CaSe	14.11	664^a	726^a	727			56
SrSe	13.21	625^a	693^a	700			49
BaSe	12.32^q	589^a	660^a	673	40ⁱ		43
CaTe	13.89	616^a	679^a	720			54
SrTe	12.20	587^a	667^a	670			42
BaTe	11.33^q	553^a	629^a	643	34ⁱ		36
LiF	25.96	266^a	247^a	247	63^j		67
LiCl	17.99	205^a	203^a	201	33^j	32^d	32
LiBr	16.27	191^a	194^a	190	24^h		27
LiI	13.25	172^a	180^a	170	17^h		18
NaF	20.11	233^a	220^a	214	47^h		40
NaCl	15.68	189^a	187^a	186	25ⁱ		25
NaBr	14.37	180^a	179^a	177	21ⁱ	20^d	21
NaI	12.79	162^a	167^a	166	16ⁱ		16
KF	16.83	204^a	194^a	194	30^h		28
KCl	13.29	172^a	170^a	170	17^h		18
KBr	12.38	165^a	163^a	163	15^h		15
KI	11.17	152^a	154^a	154	12^h		13
RbF	15.03	200^a	186^a	182	27^h		23
RbCl	12.40	166^a	164^a	163	16^h		15
RbBr	11.59	157^a	157^a	157	14ⁱ		13
RbI	10.53	149^a	149^a	149	11ⁱ		11
C	31.2^k	320^k		324	435ⁿ	443^m	443
Si	16.6^k	197^k		174	98ⁿ	98^m	98
Ge	15.6^k	161^k		163	76ⁿ	77ⁿ	84
Sn	12.7^k	128^k		133	51^m	53^m	51
ZnS	16.68^*	151^t	147^t	126	90ⁿ	77ⁿ	77
ZnSe	15.78^*	124^t	125^t	119	75ⁿ	62ⁿ	69
ZnTe	13.80^*	109^t	106^t	104	59ⁿ	51^p	52
CdS	14.87^*	135^t	132^t	112	69ⁿ	62ⁿ	61
CdSe	14.00^q	110^t	114^t	106	60ⁿ	53ⁿ	54
CdTe	13.09^*	95^t	96^t	99	47ⁿ	45^p	47
HgS	14.85^*			112			61
HgSe	12.98^*			98			46
HgTe	12.50^q			95			43

^a ref. [²⁹]

^b ref. [³¹]

^c ref. [³²]

^d ref. [³³]

^e ref. [¹]

^f ref. [³⁴]

^g ref. [³⁵]

^h ref. [³⁰]

ⁱ ref. [²⁶]

^j ref. [³⁶]

^k ref. [³⁷]

^* ref. [²²]

^m ref. [²⁴]

ⁿ ref. [³⁸]

^p ref. [³⁹]

^t ref. [⁴⁰]

^q Calculated values.